Chemical ID: 7414250

CC(C)CC(C(=O)OC)NC(=O)Nc1ccc(cc1)NC(=O)C
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

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Descriptor Annotations

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