Chemical ID: 4152406

COC(=O)c1cccc(c1)NC(=O)CCc2ccccc2
Chemical ID:
4152406
Name [?]:
methyl 3-(3-phenylpropanoylamino)benzoate
SMILES [?]:
COC(=O)c1cccc(c1)NC(=O)CCc2ccccc2
InChi [?]:
InChI=1/C17H17NO3/c1-21-17(20)14-8-5-9-15(12-14)18-16(19)11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,7,17,21,6,8,15,14,10,16,5,9,12,3,11,13,4,2/E:(3,4)(6,7)/rA:21nCOCOCCCCCCNCOCCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.59458
Area:506.136
Solvation:-3.05883
Coulombic:-41.1871
Bond Count [?]
All:22
Single:14
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:283.322
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.91
LogP (Chemaxon):3.16

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Descriptor Annotations

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