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Chemical ID: 7343122

CC(C)C(C(=O)NCc1ccccc1OC)NC(=O)C2CCN(CC2)C(=O)C3CCCN3

Chemical ID:

7343122

Name [?]:

N-[1-[(2-methoxyphenyl)methylcarbamoyl]-2-methyl-propyl]-1-pyrrolidin-2-ylcarbonyl-piperidine-4-carboxamide

SMILES [?]:

CC(C)C(C(=O)NCc1ccccc1OC)NC(=O)C2CCN(CC2)C(=O)C3CCCN3

InChi [?]:

InChI=1/C24H36N4O4/c1-16(2)21(23(30)26-15-18-7-4-5-9-20(18)32-3)27-22(29)17-10-13-28(14-11-17)24(31)19-8-6-12-25-19/h4-5,7,9,16-17,19,21,25H,6,8,10-15H2,1-3H3,(H,26,30)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,3,16,11,12,30,10,29,13,21,25,31,22,24,8,2,20,9,28,14,4,18,5,26,32,7,17,23,19,6,27,15/E:(1,2)(10,11)(13,14)/rA:32cCCCCCONCCCCCCCOCNCOCCCNCCCOCCCCN/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;s4;s17;d18;s18;s20;s21;s22;s23;s20s24;s23;d26;s26;s28;s29;s30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₆N₄O₄
All Atoms:	68
Heavy Atoms:	32
Chiral Atoms:	2

ZAP Information [?]

Total:	11.4221
Area:	692.312
Solvation:	-5.88574
Coulombic:	-74.5274

Bond Count [?]

All:	34
Single:	28
Double:	6
Rotors:	11
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	444.567
H-Bond Donors:	3
H-Bond Acceptors:	8
XLogP:	1.43
LogP (Chemaxon):	0.78

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