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Chemical ID: 6012516

CCCCN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(cc3)OCC)C(=O)C4CCCCC4

Chemical ID:

6012516

Name [?]:

N-butyl-N-[[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]carbamoyl]methyl]cyclohexanecarboxamide

SMILES [?]:

CCCCN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(cc3)OCC)C(=O)C4CCCCC4

InChi [?]:

InChI=1/C32H43N3O3/c1-3-5-20-35(32(37)26-11-7-6-8-12-26)24-31(36)34(23-25-15-17-28(18-16-25)38-4-2)21-19-27-22-33-30-14-10-9-13-29(27)30/h9-10,13-18,22,26,33H,3-8,11-12,19-21,23-24H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,30,2,29,3,36,35,37,18,19,34,38,17,20,23,27,24,26,11,4,10,13,21,6,22,33,12,25,16,15,7,31,14,9,5,8,32,28/E:(7,8)(11,12)(15,16)(17,18)/rA:38nCCCCNCCONCCCCNCCCCCCCCCCCCCOCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;s14;s12s15;d16;s17;d18;d15s19;s9;s21;s22;d23;s24;d25;d22s26;s25;s28;s29;s5;d31;s31;s33;s34;s35;s36;s33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₂H₄₃N₃O₃
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	0

ZAP Information [?]

Total:	14.0183
Area:	777.429
Solvation:	-5.4174
Coulombic:	-53.0166

Bond Count [?]

All:	41
Single:	32
Double:	9
Rotors:	15
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	517.702
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	6.42
LogP (Chemaxon):	6.01

Name Annotations

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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