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Chemical ID: 6006694
Chemical ID:
6006694
Name [?]:
N-butyl-3-phenyl-N-(p-tolylcarbamoylmethylcarbamoylmethyl)propanamide
SMILES [?]:
CCCCN(CC(=O)NCC(=O)Nc1ccc(cc1)C)C(=O)CCc2ccccc2
InChi [?]:
InChI=1/C24H31N3O3/c1-3-4-16-27(24(30)15-12-20-8-6-5-7-9-20)18-23(29)25-17-22(28)26-21-13-10-19(2)11-14-21/h5-11,13-14H,3-4,12,15-18H2,1-2H3,(H,25,29)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,20,2,3,28,27,29,26,30,16,18,24,15,19,23,4,10,6,17,25,14,11,7,21,9,13,5,12,8,22/E:(6,7)(8,9)(10,11)(13,14)/rA:30nCCCCNCCONCCONCCCCCCCCOCCCCCCCC/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;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H31N3O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.3435 |
Area: | 712.965 |
Solvation: | -4.48058 |
Coulombic: | -59.1812 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 409.521 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.25 |
LogP (Chemaxon): | 3.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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