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Chemical ID: 7340684

CC(C(=O)NCc1ccccc1OC)NC(=O)C2CCN(CC2)C(=O)C(Cc3ccccc3)N

Chemical ID:

7340684

Name [?]:

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

SMILES [?]:

CC(C(=O)NCc1ccccc1OC)NC(=O)C2CCN(CC2)C(=O)C(Cc3ccccc3)N

InChi [?]:

InChI=1/C26H34N4O4/c1-18(24(31)28-17-21-10-6-7-11-23(21)34-2)29-25(32)20-12-14-30(15-13-20)26(33)22(27)16-19-8-4-3-5-9-19/h3-11,18,20,22H,12-17,27H2,1-2H3,(H,28,31)(H,29,32)

InChi Info:

AuxInfo=1/1/N:1,14,31,30,32,9,10,29,33,8,11,19,23,20,22,27,6,2,28,18,7,26,12,3,16,24,34,5,15,21,4,17,25,13/E:(4,5)(8,9)(12,13)(14,15)/rA:34cCCCONCCCCCCCOCNCOCCCNCCCOCCCCCCCCN/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s2;s15;d16;s16;s18;s19;s20;s21;s18s22;s21;d24;s24;s26;s27;s28;d29;s30;d31;d28s32;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₄N₄O₄
All Atoms:	68
Heavy Atoms:	34
Chiral Atoms:	2

ZAP Information [?]

Total:	12.5319
Area:	736.787
Solvation:	-5.88778
Coulombic:	-79.2555

Bond Count [?]

All:	36
Single:	27
Double:	9
Rotors:	12
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	466.573
H-Bond Donors:	4
H-Bond Acceptors:	8
XLogP:	1.75
LogP (Chemaxon):	1.2

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

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Chemical Mix	Source	External ID	Descriptor	Value