Chemical ID: 6357184

CCCCC(=O)Nc1ccccc1C(=O)OC
Chemical ID:
6357184
Name [?]:
methyl 2-pentanoylaminobenzoate
SMILES [?]:
CCCCC(=O)Nc1ccccc1C(=O)OC
InChi [?]:
InChI=1/C13H17NO3/c1-3-4-9-12(15)14-11-8-6-5-7-10(11)13(16)17-2/h5-8H,3-4,9H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,17,2,3,11,10,12,9,4,13,8,5,14,7,6,15,16/rA:17nCCCCCONCCCCCCCOOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.85792
Area:440.391
Solvation:-2.15185
Coulombic:-41.1607
Bond Count [?]
All:17
Single:12
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:235.279
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.03
LogP (Chemaxon):2.99

Name Annotations

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Descriptor Annotations

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