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Chemical ID: 6006686
Chemical ID:
6006686
Name [?]:
N-butyl-3-cyclopentyl-N-(p-tolylcarbamoylmethylcarbamoylmethyl)propanamide
SMILES [?]:
CCCCN(CC(=O)NCC(=O)Nc1ccc(cc1)C)C(=O)CCC2CCCC2
InChi [?]:
InChI=1/C23H35N3O3/c1-3-4-15-26(23(29)14-11-19-7-5-6-8-19)17-22(28)24-16-21(27)25-20-12-9-18(2)10-13-20/h9-10,12-13,19H,3-8,11,14-17H2,1-2H3,(H,24,28)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,20,2,3,27,28,26,29,16,18,24,15,19,23,4,10,6,17,25,14,11,7,21,9,13,5,12,8,22/E:(5,6)(7,8)(9,10)(12,13)/rA:29nCCCCNCCONCCONCCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s5;d21;s21;s23;s24;s25;s26;s27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H35N3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.3282 |
Area: | 701.215 |
Solvation: | -4.20219 |
Coulombic: | -58.5145 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 401.542 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.25 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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