Chemical ID: 6617443

CCN(c1ccccc1)C(=O)COC(=O)c2ccccc2N
Chemical ID:
6617443
Name [?]:
(ethyl-phenyl-carbamoyl)methyl 2-aminobenzoate
SMILES [?]:
CCN(c1ccccc1)C(=O)COC(=O)c2ccccc2N
InChi [?]:
InChI=1/C17H18N2O3/c1-2-19(13-8-4-3-5-9-13)16(20)12-22-17(21)14-10-6-7-11-15(14)18/h3-11H,2,12,18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,8,18,19,5,9,17,20,12,4,16,21,10,14,22,3,11,15,13/E:(4,5)(8,9)/rA:22nCCNCCCCCCCOCOCOCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.47318
Area:510.547
Solvation:-3.29048
Coulombic:-54.105
Bond Count [?]
All:23
Single:15
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:298.336
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.87
LogP (Chemaxon):2.66

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Descriptor Annotations

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