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Chemical ID: 7339655

CCc1ccc(cc1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(=O)C(Cc3ccccc3)N

Chemical ID:

7339655

Name [?]:

1-(2-amino-3-phenyl-propanoyl)-N-[1-[(4-ethylphenyl)carbamoyl]ethyl]piperidine-4-carboxamide

SMILES [?]:

CCc1ccc(cc1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(=O)C(Cc3ccccc3)N

InChi [?]:

InChI=1/C26H34N4O3/c1-3-19-9-11-22(12-10-19)29-24(31)18(2)28-25(32)21-13-15-30(16-14-21)26(33)23(27)17-20-7-5-4-6-8-20/h4-12,18,21,23H,3,13-17,27H2,1-2H3,(H,28,32)(H,29,31)

InChi Info:

AuxInfo=1/1/N:1,13,2,30,29,31,28,32,4,8,5,7,18,22,19,21,26,12,3,27,17,6,25,10,15,23,33,14,9,20,11,16,24/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:33cCCCCCCCCNCOCCNCOCCCNCCCOCCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s12;s14;d15;s15;s17;s18;s19;s20;s17s21;s20;d23;s23;s25;s26;s27;d28;s29;d30;d27s31;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₄N₄O₃
All Atoms:	67
Heavy Atoms:	33
Chiral Atoms:	2

ZAP Information [?]

Total:	13.4115
Area:	723.426
Solvation:	-4.67414
Coulombic:	-71.6954

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	11
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	450.573
H-Bond Donors:	4
H-Bond Acceptors:	7
XLogP:	2.59
LogP (Chemaxon):	2.7

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value