Chemical ID: 4113745

CCCOC(=O)c1cccc(c1)NC(=O)c2ccccc2C
Chemical ID:
4113745
Name [?]:
propyl 3-(2-methylbenzoyl)aminobenzoate
SMILES [?]:
CCCOC(=O)c1cccc(c1)NC(=O)c2ccccc2C
InChi [?]:
InChI=1/C18H19NO3/c1-3-11-22-18(21)14-8-6-9-15(12-14)19-17(20)16-10-5-4-7-13(16)2/h4-10,12H,3,11H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,2,19,18,9,20,8,10,17,3,12,21,7,11,16,14,5,13,15,6,4/rA:22nCCCOCOCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19NO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.5007
Area:518.813
Solvation:-2.46965
Coulombic:-43.4514
Bond Count [?]
All:23
Single:15
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:297.348
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.15
LogP (Chemaxon):3.93

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Descriptor Annotations

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