ethyl 3-[(4-methoxy-2-methylphenyl)carbamoylamino]benzoate

C18H20N2O4 — CID 46860218

IUPACethyl 3-[(4-methoxy-2-methylphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)Nc2ccc(OC)cc2C)c1
InChIInChI=1S/C18H20N2O4/c1-4-24-17(21)13-6-5-7-14(11-13)19-18(22)20-16-9-8-15(23-3)10-12(16)2/h5-11H,4H2,1-3H3,(H2,19,20,22)
InChIKeyDXRYQKAQWSBOEP-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.82
Rot. Bonds5

About ethyl 3-[(4-methoxy-2-methylphenyl)carbamoylamino]benzoate

ethyl 3-[(4-methoxy-2-methylphenyl)carbamoylamino]benzoate (PubChem CID 46860218) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl 3-[(4-methoxy-2-methylphenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(4-methoxy-2-methylphenyl)carbamoylamino]benzoate
PubChem CID46860218
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Nameethyl 3-[(4-methoxy-2-methylphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)Nc2ccc(OC)cc2C)c1
InChIInChI=1S/C18H20N2O4/c1-4-24-17(21)13-6-5-7-14(11-13)19-18(22)20-16-9-8-15(23-3)10-12(16)2/h5-11H,4H2,1-3H3,(H2,19,20,22)
InChIKeyDXRYQKAQWSBOEP-UHFFFAOYSA-N
XLogP3.82
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-2-methylphenyl)-3-(3-methylphenyl)urea
CID 46860185
ethyl 3-[(3-methoxyphenyl)carbamothioylamino]benzoate
CID 19687779
methyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate
CID 108991298
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)urea
CID 6469067
ethyl 3-acetamidobenzoate
CID 700589
1-(4-acetylphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 2954642
ethyl 3-(propylcarbamoylamino)benzoate
CID 19169955
ethyl 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 890217
ethyl 3-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]benzoate
CID 94019557
ethyl 3-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate
CID 890216
1-(2,3-dimethylphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860194
ethyl 3-(2-methylpropanoylamino)benzoate
CID 836905

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-methoxy-2-methylphenyl)carbamoylamino]benzoate?
The IUPAC name of ethyl 3-[(4-methoxy-2-methylphenyl)carbamoylamino]benzoate (CID 46860218) is ethyl 3-[(4-methoxy-2-methylphenyl)carbamoylamino]benzoate.
What is the SMILES notation for ethyl 3-[(4-methoxy-2-methylphenyl)carbamoylamino]benzoate?
The canonical SMILES for ethyl 3-[(4-methoxy-2-methylphenyl)carbamoylamino]benzoate is CCOC(=O)c1cccc(NC(=O)Nc2ccc(OC)cc2C)c1.
What is the InChIKey of ethyl 3-[(4-methoxy-2-methylphenyl)carbamoylamino]benzoate?
The InChIKey is DXRYQKAQWSBOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-4-24-17(21)13-6-5-7-14(11-13)19-18(22)20-16-9-8-15(23-3)10-12(16)2/h5-11H,4H2,1-3H3,(H2,19,20,22).
What are the key properties of ethyl 3-[(4-methoxy-2-methylphenyl)carbamoylamino]benzoate?
ethyl 3-[(4-methoxy-2-methylphenyl)carbamoylamino]benzoate has a molecular weight of 328.37 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-methoxy-2-methylphenyl)carbamoylamino]benzoate is sourced from PubChem (CID 46860218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).