Chemical ID: 6011450

CCCCN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccccc3)C(=O)CC(C)C
Chemical ID:
6011450
Name [?]:
N-[[benzyl-[2-(1H-indol-3-yl)ethyl]carbamoyl]methyl]-N-butyl-3-methyl-butanamide
SMILES [?]:
CCCCN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccccc3)C(=O)CC(C)C
InChi [?]:
InChI=1/C28H37N3O2/c1-4-5-16-30(27(32)18-22(2)3)21-28(33)31(20-23-11-7-6-8-12-23)17-15-24-19-29-26-14-10-9-13-25(24)26/h6-14,19,22,29H,4-5,15-18,20-21H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,32,33,2,3,25,24,26,18,19,23,27,17,20,11,4,10,30,13,21,6,31,22,12,16,15,28,7,14,5,9,29,8/E:(2,3)(7,8)(11,12)/rA:33nCCCCNCCONCCCCNCCCCCCCCCCCCCCOCCCC/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;s5;d28;s28;s30;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H37N3O2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:14.4273
Area:738.768
Solvation:-4.04186
Coulombic:-46.3364
Bond Count [?]
All:35
Single:26
Double:9
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:447.612
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.49
LogP (Chemaxon):5.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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