methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate

C17H18N2O4 — CID 108992050

IUPACmethyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C17H18N2O4/c1-11-4-9-15(22-2)14(10-11)19-17(21)18-13-7-5-12(6-8-13)16(20)23-3/h4-10H,1-3H3,(H2,18,19,21)
InChIKeyONVFVXRRCQRGQH-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.43
Rot. Bonds4

About methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate

methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate (PubChem CID 108992050) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate
PubChem CID108992050
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Namemethyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C17H18N2O4/c1-11-4-9-15(22-2)14(10-11)19-17(21)18-13-7-5-12(6-8-13)16(20)23-3/h4-10H,1-3H3,(H2,18,19,21)
InChIKeyONVFVXRRCQRGQH-UHFFFAOYSA-N
XLogP3.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
methyl 4-[(2-bromo-4-methylphenyl)carbamoylamino]benzoate
CID 108992383
methyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate
CID 9043924
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
CID 46551082
N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 46547571
N-(4-carbamoylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 45001353
methyl 4-[[5-[(4-methoxycarbonylphenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]carbamoylamino]benzoate
CID 23605079
methyl 4-[3-(2-methoxy-5-methylanilino)-3-oxoprop-1-enyl]benzoate
CID 3402722
1-[4-(4-hydroxycyclohexyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea
CID 71072413
methyl 3-methoxy-4-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 8729011
1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69447816

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate?
The IUPAC name of methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate (CID 108992050) is methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate.
What is the SMILES notation for methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate?
The canonical SMILES for methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate is COC(=O)c1ccc(NC(=O)Nc2cc(C)ccc2OC)cc1.
What is the InChIKey of methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate?
The InChIKey is ONVFVXRRCQRGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-4-9-15(22-2)14(10-11)19-17(21)18-13-7-5-12(6-8-13)16(20)23-3/h4-10H,1-3H3,(H2,18,19,21).
What are the key properties of methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate?
methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate has a molecular weight of 314.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate is sourced from PubChem (CID 108992050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).