methyl 3-[methyl(phenyl)carbamoyl]benzoate

C16H15NO3 — CID 17175250

IUPACmethyl 3-[methyl(phenyl)carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C16H15NO3/c1-17(14-9-4-3-5-10-14)15(18)12-7-6-8-13(11-12)16(19)20-2/h3-11H,1-2H3
InChIKeyICKZROBAUGNEAX-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.75
Rot. Bonds3

About methyl 3-[methyl(phenyl)carbamoyl]benzoate

methyl 3-[methyl(phenyl)carbamoyl]benzoate (PubChem CID 17175250) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 3-[methyl(phenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[methyl(phenyl)carbamoyl]benzoate
PubChem CID17175250
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Namemethyl 3-[methyl(phenyl)carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C16H15NO3/c1-17(14-9-4-3-5-10-14)15(18)12-7-6-8-13(11-12)16(19)20-2/h3-11H,1-2H3
InChIKeyICKZROBAUGNEAX-UHFFFAOYSA-N
XLogP2.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Padimate-O
CID 30541
Ethyl 4-(dimethylamino)benzoate
CID 25127
Benzoic acid, 4-(dimethylamino)-, pentyl ester
CID 26890
Ethyl 4-(benzoylamino)benzoate
CID 12914
Ethyl 4-maleimidobenzoate
CID 286520
4-Phenylacetylamino-benzoic acid methyl ester
CID 669121
Methyl 3-(2-oxopyrrolidin-1-yl)benzoate
CID 667806
Methyl 4-[(3-methylbenzoyl)amino]benzoate
CID 759219
Octyl p-dimethylaminobenzoate
CID 42851
Methyl 4-dimethylaminobenzoate
CID 70994
Ethyl 4-(diethylamino)benzoate
CID 82517
Methyl 3-benzamidobenzoate
CID 730618

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(phenyl)carbamoyl]benzoate?
The IUPAC name of methyl 3-[methyl(phenyl)carbamoyl]benzoate (CID 17175250) is methyl 3-[methyl(phenyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 3-[methyl(phenyl)carbamoyl]benzoate?
The canonical SMILES for methyl 3-[methyl(phenyl)carbamoyl]benzoate is COC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1.
What is the InChIKey of methyl 3-[methyl(phenyl)carbamoyl]benzoate?
The InChIKey is ICKZROBAUGNEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-17(14-9-4-3-5-10-14)15(18)12-7-6-8-13(11-12)16(19)20-2/h3-11H,1-2H3.
What are the key properties of methyl 3-[methyl(phenyl)carbamoyl]benzoate?
methyl 3-[methyl(phenyl)carbamoyl]benzoate has a molecular weight of 269.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(phenyl)carbamoyl]benzoate is sourced from PubChem (CID 17175250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).