Chemical ID: 6870150

CCc1ccc(cc1)NC(=O)CNc2ccccc2C(=O)OC
Chemical ID:
6870150
Name [?]:
methyl 2-[(4-ethylphenyl)carbamoylmethylamino]benzoate
SMILES [?]:
CCc1ccc(cc1)NC(=O)CNc2ccccc2C(=O)OC
InChi [?]:
InChI=1/C18H20N2O3/c1-3-13-8-10-14(11-9-13)20-17(21)12-19-16-7-5-4-6-15(16)18(22)23-2/h4-11,19H,3,12H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,2,17,16,18,15,4,8,5,7,12,3,6,19,14,10,20,13,9,11,21,22/E:(8,9)(10,11)/rA:23nCCCCCCCCNCOCNCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N2O3
All Atoms:43
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.75083
Area:537.682
Solvation:-3.69122
Coulombic:-53.2601
Bond Count [?]
All:24
Single:16
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:312.363
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.67
LogP (Chemaxon):3.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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