Chemical ID: 5274432

CC(C(=O)OC)NC(=O)Nc1ccc(cc1)C(=O)C
Chemical ID:
5274432
Name [?]:
methyl 2-[(4-acetylphenyl)carbamoylamino]propanoate
SMILES [?]:
CC(C(=O)OC)NC(=O)Nc1ccc(cc1)C(=O)C
InChi [?]:
InChI=1/C13H16N2O4/c1-8(12(17)19-3)14-13(18)15-11-6-4-10(5-7-11)9(2)16/h4-8H,1-3H3,(H2,14,15,18)
InChi Info:
AuxInfo=1/1/N:1,19,6,13,15,12,16,2,17,14,11,3,8,7,10,18,4,9,5/E:(4,5)(6,7)/rA:19cCCCOOCNCONCCCCCCCOC/rB:s1;s2;d3;s3;s5;s2;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N2O4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:8.23813
Area:473.778
Solvation:-3.60632
Coulombic:-60.6317
Bond Count [?]
All:19
Single:13
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:264.277
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.99
LogP (Chemaxon):0.77

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Descriptor Annotations

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