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Chemical ID: 6012535

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

Chemical ID:

6012535

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C30H41N3O3/c1-5-7-17-32(29(34)19-23(3)4)22-30(35)33(21-24-12-14-26(15-13-24)36-6-2)18-16-25-20-31-28-11-9-8-10-27(25)28/h8-15,20,23,31H,5-7,16-19,21-22H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,30,35,36,2,29,3,18,19,17,20,23,27,24,26,11,4,10,33,13,21,6,34,22,12,25,16,15,31,7,14,5,9,32,8,28/E:(3,4)(12,13)(14,15)/rA:36nCCCCNCCONCCCCNCCCCCCCCCCCCCOCCCOCCCC/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;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₄₁N₃O₃
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	14.4652
Area:	795.199
Solvation:	-5.4148
Coulombic:	-52.6784

Bond Count [?]

All:	38
Single:	29
Double:	9
Rotors:	16
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	491.665
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.83
LogP (Chemaxon):	5.49

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