Chemical ID: 7494402

CCCOc1ccccc1C(=O)Nc2ccccc2C(=O)OC
Chemical ID:
7494402
Name [?]:
methyl 2-(2-propoxybenzoyl)aminobenzoate
SMILES [?]:
CCCOc1ccccc1C(=O)Nc2ccccc2C(=O)OC
InChi [?]:
InChI=1/C18H19NO4/c1-3-12-23-16-11-7-5-9-14(16)17(20)19-15-10-6-4-8-13(15)18(21)22-2/h4-11H,3,12H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,23,2,17,8,16,7,18,9,15,6,3,19,10,14,5,11,20,13,12,21,22,4/rA:23nCCCOCCCCCCCONCCCCCCCOOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19NO4
All Atoms:42
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.0781
Area:524.524
Solvation:-4.035
Coulombic:-49.6186
Bond Count [?]
All:24
Single:16
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:313.348
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.05
LogP (Chemaxon):3.86

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Descriptor Annotations

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