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Chemical ID: 6012179

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

Chemical ID:

6012179

Name [?]:

N-butyl-N-[[(4-dimethylaminophenyl)methyl-[2-(1H-indol-3-yl)ethyl]carbamoyl]methyl]-2,2-dimethyl-propanamide

SMILES [?]:

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

InChi [?]:

InChI=1/C30H42N4O2/c1-7-8-18-34(29(36)30(2,3)4)22-28(35)33(21-23-13-15-25(16-14-23)32(5)6)19-17-24-20-31-27-12-10-9-11-26(24)27/h9-16,20,31H,7-8,17-19,21-22H2,1-6H3

InChi Info:

AuxInfo=1/0/N:1,34,35,36,29,30,2,3,18,19,17,20,23,27,24,26,11,4,10,13,21,6,22,12,25,16,15,7,31,33,14,28,9,5,8,32/E:(2,3,4)(5,6)(13,14)(15,16)/rA:36nCCCCNCCONCCCCNCCCCCCCCCCCCCNCCCOCCCC/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;s28;s5;d31;s31;s33;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₄₂N₄O₂
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	14.4086
Area:	769.834
Solvation:	-4.83729
Coulombic:	-51.4541

Bond Count [?]

All:	38
Single:	29
Double:	9
Rotors:	14
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	490.68
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.12
LogP (Chemaxon):	6.16

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value