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Chemical ID: 7414250
Chemical ID:
7414250
Name [?]:
methyl 2-[(4-acetamidophenyl)carbamoylamino]-4-methyl-pentanoate
SMILES [?]:
CC(C)CC(C(=O)OC)NC(=O)Nc1ccc(cc1)NC(=O)C
InChi [?]:
InChI=1/C16H23N3O4/c1-10(2)9-14(15(21)23-4)19-16(22)18-13-7-5-12(6-8-13)17-11(3)20/h5-8,10,14H,9H2,1-4H3,(H,17,20)(H2,18,19,22)
InChi Info:
AuxInfo=1/1/N:1,3,23,9,16,18,15,19,4,2,21,17,14,5,6,11,20,13,10,22,7,12,8/E:(1,2)(5,6)(7,8)/rA:23cCCCCCCOOCNCONCCCCCCNCOC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s5;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23N3O4 |
All Atoms: | 46 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.90835 |
Area: | 545.594 |
Solvation: | -3.7315 |
Coulombic: | -72.7512 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 321.372 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 1.41 |
LogP (Chemaxon): | 1.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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