ethyl 4-(methylcarbamoyl)benzoate

C11H13NO3 — CID 125143185

IUPACethyl 4-(methylcarbamoyl)benzoate
SMILESCCOC(=O)c1ccc(C(=O)NC)cc1
InChIInChI=1S/C11H13NO3/c1-3-15-11(14)9-6-4-8(5-7-9)10(13)12-2/h4-7H,3H2,1-2H3,(H,12,13)
InChIKeySTWQWEGUORXTQX-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.22
Rot. Bonds3

About ethyl 4-(methylcarbamoyl)benzoate

ethyl 4-(methylcarbamoyl)benzoate (PubChem CID 125143185) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is ethyl 4-(methylcarbamoyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(methylcarbamoyl)benzoate
PubChem CID125143185
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Nameethyl 4-(methylcarbamoyl)benzoate
SMILESCCOC(=O)c1ccc(C(=O)NC)cc1
InChIInChI=1S/C11H13NO3/c1-3-15-11(14)9-6-4-8(5-7-9)10(13)12-2/h4-7H,3H2,1-2H3,(H,12,13)
InChIKeySTWQWEGUORXTQX-UHFFFAOYSA-N
XLogP1.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-aminobenzoate
CID 2337
ethyl 4-(2-methoxypropan-2-yl)benzoate
CID 140896338
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806
(4-ethoxycarbonylphenyl)-λ2-stannane
CID 173440121
N,4-dimethylbenzamide;ethane;methyl 4-methylbenzoate
CID 143418770
ethyl 4-(azanylidyne(113C)methyl)benzoate
CID 10442221
ethyl 4-[(4-methylphenyl)methyl]benzoate
CID 53487512
ethyl 2-(methylamino)azulene-6-carboxylate
CID 102001514
ethyl 2,3-dihydroxy-3-[4-(methylcarbamoyl)phenyl]propanoate
CID 171866592

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(methylcarbamoyl)benzoate?
The IUPAC name of ethyl 4-(methylcarbamoyl)benzoate (CID 125143185) is ethyl 4-(methylcarbamoyl)benzoate.
What is the SMILES notation for ethyl 4-(methylcarbamoyl)benzoate?
The canonical SMILES for ethyl 4-(methylcarbamoyl)benzoate is CCOC(=O)c1ccc(C(=O)NC)cc1.
What is the InChIKey of ethyl 4-(methylcarbamoyl)benzoate?
The InChIKey is STWQWEGUORXTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-3-15-11(14)9-6-4-8(5-7-9)10(13)12-2/h4-7H,3H2,1-2H3,(H,12,13).
What are the key properties of ethyl 4-(methylcarbamoyl)benzoate?
ethyl 4-(methylcarbamoyl)benzoate has a molecular weight of 207.23 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(methylcarbamoyl)benzoate is sourced from PubChem (CID 125143185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).