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Chemical ID: 6003851
Chemical ID:
6003851
Name [?]:
N-butyl-N-[(4-methoxyphenyl)carbamoylmethylcarbamoylmethyl]-3-phenyl-propanamide
SMILES [?]:
CCCCN(CC(=O)NCC(=O)Nc1ccc(cc1)OC)C(=O)CCc2ccccc2
InChi [?]:
InChI=1/C24H31N3O4/c1-3-4-16-27(24(30)15-10-19-8-6-5-7-9-19)18-23(29)25-17-22(28)26-20-11-13-21(31-2)14-12-20/h5-9,11-14H,3-4,10,15-18H2,1-2H3,(H,25,29)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,21,2,3,29,28,30,27,31,25,15,19,16,18,24,4,10,6,26,14,17,11,7,22,9,13,5,12,8,23,20/E:(6,7)(8,9)(11,12)(13,14)/rA:31nCCCCNCCONCCONCCCCCCOCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s5;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H31N3O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4703 |
Area: | 727.136 |
Solvation: | -5.70812 |
Coulombic: | -65.6017 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 425.521 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.73 |
LogP (Chemaxon): | 2.66 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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