methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate

C17H17NO5 — CID 16585566

IUPACmethyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C17H17NO5/c1-21-13-8-9-15(22-2)14(10-13)18-16(19)11-4-6-12(7-5-11)17(20)23-3/h4-10H,1-3H3,(H,18,19)
InChIKeyNDFQIDPLJVNEBW-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.74
Rot. Bonds5

About methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate

methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate (PubChem CID 16585566) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate
PubChem CID16585566
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Namemethyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C17H17NO5/c1-21-13-8-9-15(22-2)14(10-13)18-16(19)11-4-6-12(7-5-11)17(20)23-3/h4-10H,1-3H3,(H,18,19)
InChIKeyNDFQIDPLJVNEBW-UHFFFAOYSA-N
XLogP2.74
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049315
N-(2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918722
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
N-(2,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 4011159
dimethyl 5-[(2,5-dimethoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate
CID 1298005
3-acetamido-N-(2,4-dimethoxyphenyl)-4-methoxybenzamide
CID 110764309
N-(2,5-dimethoxyphenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119475
methyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate
CID 46394490
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 46790872
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 817326
1-N,3-N-bis(2,5-dimethoxyphenyl)-5-nitrobenzene-1,3-dicarboxamide
CID 1116125

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate?
The IUPAC name of methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate (CID 16585566) is methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1.
What is the InChIKey of methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate?
The InChIKey is NDFQIDPLJVNEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-21-13-8-9-15(22-2)14(10-13)18-16(19)11-4-6-12(7-5-11)17(20)23-3/h4-10H,1-3H3,(H,18,19).
What are the key properties of methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate?
methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate has a molecular weight of 315.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate is sourced from PubChem (CID 16585566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).