methyl 3-[methyl(phenyl)carbamoyl]oxybenzoate

C16H15NO4 — CID 71541824

IUPACmethyl 3-[methyl(phenyl)carbamoyl]oxybenzoate
SMILESCOC(=O)c1cccc(OC(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C16H15NO4/c1-17(13-8-4-3-5-9-13)16(19)21-14-10-6-7-12(11-14)15(18)20-2/h3-11H,1-2H3
InChIKeyDLNQTOAPCAJILJ-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.11
Rot. Bonds3

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

methyl 3-[methyl(phenyl)carbamoyl]oxybenzoate (PubChem CID 71541824) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 3-[methyl(phenyl)carbamoyl]oxybenzoate.

Molecular Properties

Compound Namemethyl 3-[methyl(phenyl)carbamoyl]oxybenzoate
PubChem CID71541824
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Namemethyl 3-[methyl(phenyl)carbamoyl]oxybenzoate
SMILESCOC(=O)c1cccc(OC(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C16H15NO4/c1-17(13-8-4-3-5-9-13)16(19)21-14-10-6-7-12(11-14)15(18)20-2/h3-11H,1-2H3
InChIKeyDLNQTOAPCAJILJ-UHFFFAOYSA-N
XLogP3.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-acetyloxybenzoate
CID 577969
methyl 3-carbamoyloxybenzoate
CID 795113
(3-methoxycarbonylphenyl) naphthalene-2-carboxylate
CID 7924245
(1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate
CID 10022032
methyl 3-diphenoxyboranyloxybenzoate
CID 142687972
methyl 3-anilinooxybenzoate
CID 54183467
(4-ethylphenyl) N-methyl-N-phenylcarbamate
CID 91395090
CID 59716384
CID 59716384
[3-[methyl-(4-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid
CID 57194295
(3-methoxycarbonylphenyl) 3-ethoxybenzoate
CID 4981603
CID 70265363
CID 70265363
CID 159558349
CID 159558349

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(phenyl)carbamoyl]oxybenzoate?
The IUPAC name of methyl 3-[methyl(phenyl)carbamoyl]oxybenzoate (CID 71541824) is methyl 3-[methyl(phenyl)carbamoyl]oxybenzoate.
What is the SMILES notation for methyl 3-[methyl(phenyl)carbamoyl]oxybenzoate?
The canonical SMILES for methyl 3-[methyl(phenyl)carbamoyl]oxybenzoate is COC(=O)c1cccc(OC(=O)N(C)c2ccccc2)c1.
What is the InChIKey of methyl 3-[methyl(phenyl)carbamoyl]oxybenzoate?
The InChIKey is DLNQTOAPCAJILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-17(13-8-4-3-5-9-13)16(19)21-14-10-6-7-12(11-14)15(18)20-2/h3-11H,1-2H3.
What are the key properties of methyl 3-[methyl(phenyl)carbamoyl]oxybenzoate?
methyl 3-[methyl(phenyl)carbamoyl]oxybenzoate has a molecular weight of 285.30 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(phenyl)carbamoyl]oxybenzoate is sourced from PubChem (CID 71541824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).