[2-(N-methylanilino)-2-oxoethyl] 3-methylbenzoate

C17H17NO3 — CID 46860545

IUPAC[2-(N-methylanilino)-2-oxoethyl] 3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C17H17NO3/c1-13-7-6-8-14(11-13)17(20)21-12-16(19)18(2)15-9-4-3-5-10-15/h3-11H,12H2,1-2H3
InChIKeySUONTBSQMOAEOG-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.81
Rot. Bonds4

About [2-(N-methylanilino)-2-oxoethyl] 3-methylbenzoate

[2-(N-methylanilino)-2-oxoethyl] 3-methylbenzoate (PubChem CID 46860545) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 3-methylbenzoate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 3-methylbenzoate
PubChem CID46860545
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C17H17NO3/c1-13-7-6-8-14(11-13)17(20)21-12-16(19)18(2)15-9-4-3-5-10-15/h3-11H,12H2,1-2H3
InChIKeySUONTBSQMOAEOG-UHFFFAOYSA-N
XLogP2.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(N-methylanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677118
[2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519333
[2-(N-methylanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501259
[2-(N-methylanilino)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2589269
[2-(N-methylanilino)-2-oxoethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 43026537
[2-(N-methylanilino)-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 71823629
[2-(4-fluoro-N-methylanilino)-2-oxoethyl] 3-chlorobenzoate
CID 46860340
2-(3-methylbenzoyl)oxyethyl 3-methylbenzoate
CID 23185550
[2-(N-methylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 2407310
phenacyl 3-(dimethylamino)benzoate
CID 624872
hydroxymethyl 3-methylbenzoate
CID 54320661
[2-(N-methylanilino)-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385406

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 3-methylbenzoate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 3-methylbenzoate (CID 46860545) is [2-(N-methylanilino)-2-oxoethyl] 3-methylbenzoate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 3-methylbenzoate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 3-methylbenzoate is Cc1cccc(C(=O)OCC(=O)N(C)c2ccccc2)c1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 3-methylbenzoate?
The InChIKey is SUONTBSQMOAEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-13-7-6-8-14(11-13)17(20)21-12-16(19)18(2)15-9-4-3-5-10-15/h3-11H,12H2,1-2H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 3-methylbenzoate?
[2-(N-methylanilino)-2-oxoethyl] 3-methylbenzoate has a molecular weight of 283.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 3-methylbenzoate is sourced from PubChem (CID 46860545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).