Chemical ID: 6387468

COC(=O)c1ccccc1NC(=O)CCC2CCCC2
Chemical ID:
6387468
Name [?]:
methyl 2-(3-cyclopentylpropanoylamino)benzoate
SMILES [?]:
COC(=O)c1ccccc1NC(=O)CCC2CCCC2
InChi [?]:
InChI=1/C16H21NO3/c1-20-16(19)13-8-4-5-9-14(13)17-15(18)11-10-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,18,19,7,8,17,20,6,9,15,14,16,5,10,12,3,11,13,4,2/E:(2,3)(6,7)/rA:20nCOCOCCCCCCNCOCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s15;s16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H21NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.89915
Area:486.954
Solvation:-2.27471
Coulombic:-41.3516
Bond Count [?]
All:21
Single:16
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:275.343
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.34
LogP (Chemaxon):3.61

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Descriptor Annotations

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