Chemical ID: 6908006

Cc1ccc(cc1)C(=O)OCC(=O)Nc2cccc(c2C)C
Chemical ID:
6908006
Name [?]:
(2,3-dimethylphenyl)carbamoylmethyl 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)OCC(=O)Nc2cccc(c2C)C
InChi [?]:
InChI=1/C18H19NO3/c1-12-7-9-15(10-8-12)18(21)22-11-17(20)19-16-6-4-5-13(2)14(16)3/h4-10H,11H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,21,17,18,16,3,7,4,6,11,2,19,20,5,15,12,8,14,13,9,10/E:(7,8)(9,10)/rA:22nCCCCCCCCOOCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19NO3
All Atoms:41
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.91616
Area:521.414
Solvation:-3.1192
Coulombic:-41.9318
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:297.348
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.8
LogP (Chemaxon):3.43

Name Annotations

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Descriptor Annotations

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