ChemDB: Chemical Search
Download
Chemical ID: 5903414
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|