Chemical ID: 5903414

CCCCN(Cc1cccn1C)C(=O)CN(CC(C)C)C(=O)C2CCCCC2
Chemical ID:
5903414
Name [?]:
N-[[butyl-[(1-methylpyrrol-2-yl)methyl]carbamoyl]methyl]-N-isobutyl-cyclohexanecarboxamide
SMILES [?]:
CCCCN(Cc1cccn1C)C(=O)CN(CC(C)C)C(=O)C2CCCCC2
InChi [?]:
InChI=1/C23H39N3O2/c1-5-6-15-25(17-21-13-10-14-24(21)4)22(27)18-26(16-19(2)3)23(28)20-11-8-7-9-12-20/h10,13-14,19-20H,5-9,11-12,15-18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,20,12,2,3,26,25,27,9,24,28,8,10,4,17,6,15,18,23,7,13,21,11,5,16,14,22/E:(2,3)(8,9)(11,12)/rA:28nCCCCNCCCCCNCCOCNCCCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s7s10;s11;s5;d13;s13;s15;s16;s17;s18;s18;s16;d21;s21;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H39N3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.0772
Area:626.334
Solvation:-3.58118
Coulombic:-39.1269
Bond Count [?]
All:29
Single:25
Double:4
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:389.575
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.33
LogP (Chemaxon):3.72

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Descriptor Annotations

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