Chemical ID: 5922307

Cc1ccc(o1)CN(CCc2ccccc2)C(=O)CN(CCC(C)C)C(=O)CCc3ccccc3
Chemical ID:
5922307
Name [?]:
N-isopentyl-N-[[(5-methyl-2-furyl)methyl-phenethyl-carbamoyl]methyl]-3-phenyl-propanamide
SMILES [?]:
Cc1ccc(o1)CN(CCc2ccccc2)C(=O)CN(CCC(C)C)C(=O)CCc3ccccc3
InChi [?]:
InChI=1/C30H38N2O3/c1-24(2)18-20-32(29(33)17-15-26-10-6-4-7-11-26)23-30(34)31(22-28-16-14-25(3)35-28)21-19-27-12-8-5-9-13-27/h4-14,16,24H,15,17-23H2,1-3H3
InChi Info:
AuxInfo=1/0/N:24,25,1,33,14,32,34,13,15,31,35,12,16,3,29,4,28,22,10,21,9,7,19,23,2,30,11,5,26,17,8,20,27,18,6/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:35nCCCCCOCNCCCCCCCCCOCNCCCCCCOCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s8;d17;s17;s19;s20;s21;s22;s23;s23;s20;d26;s26;s28;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H38N2O3
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:14.6254
Area:783.63
Solvation:-4.9653
Coulombic:-42.1758
Bond Count [?]
All:37
Single:27
Double:10
Rotors:15
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:474.634
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.23
LogP (Chemaxon):5.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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