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Chemical ID: 6003849
Chemical ID:
6003849
Name [?]:
N-butyl-2-ethyl-N-[(4-methoxyphenyl)carbamoylmethylcarbamoylmethyl]hexanamide
SMILES [?]:
CCCCC(CC)C(=O)N(CCCC)CC(=O)NCC(=O)Nc1ccc(cc1)OC
InChi [?]:
InChI=1/C23H37N3O4/c1-5-8-10-18(7-3)23(29)26(15-9-6-2)17-22(28)24-16-21(27)25-19-11-13-20(30-4)14-12-19/h11-14,18H,5-10,15-17H2,1-4H3,(H,24,28)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,14,7,30,2,13,6,3,12,4,24,28,25,27,11,19,15,5,23,26,20,16,8,18,22,10,21,17,9,29/E:(11,12)(13,14)/rA:30cCCCCCCCCONCCCCCCONCCONCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;s12;s13;s10;s15;d16;s16;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H37N3O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.4963 |
Area: | 721.656 |
Solvation: | -5.54514 |
Coulombic: | -65.475 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 17 |
Chiral: | 0 |
Rigid Segments: | 12 |
Chemical Properties
Molecular Weight: | 419.558 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.85 |
LogP (Chemaxon): | 3.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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