[2-(methylamino)-2-oxoethyl] 2-benzylbenzoate

C17H17NO3 — CID 18074052

IUPAC[2-(methylamino)-2-oxoethyl] 2-benzylbenzoate
SMILESCNC(=O)COC(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C17H17NO3/c1-18-16(19)12-21-17(20)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,19)
InChIKeyOZFIINDEETWTFT-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.18
Rot. Bonds5

About [2-(methylamino)-2-oxoethyl] 2-benzylbenzoate

[2-(methylamino)-2-oxoethyl] 2-benzylbenzoate (PubChem CID 18074052) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 2-benzylbenzoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 2-benzylbenzoate
PubChem CID18074052
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name[2-(methylamino)-2-oxoethyl] 2-benzylbenzoate
SMILESCNC(=O)COC(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C17H17NO3/c1-18-16(19)12-21-17(20)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,19)
InChIKeyOZFIINDEETWTFT-UHFFFAOYSA-N
XLogP2.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2715820
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2334495
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-benzylbenzoate
CID 7809504
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2338198
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate
CID 2587645
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2334993
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-benzylbenzoate
CID 2651243
[2-(4-butylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 7809575
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2335829
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-benzylbenzoate
CID 7604677
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-benzylbenzoate
CID 7809595
[2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2337004

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 2-benzylbenzoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 2-benzylbenzoate (CID 18074052) is [2-(methylamino)-2-oxoethyl] 2-benzylbenzoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 2-benzylbenzoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 2-benzylbenzoate is CNC(=O)COC(=O)c1ccccc1Cc1ccccc1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 2-benzylbenzoate?
The InChIKey is OZFIINDEETWTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-18-16(19)12-21-17(20)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,19).
What are the key properties of [2-(methylamino)-2-oxoethyl] 2-benzylbenzoate?
[2-(methylamino)-2-oxoethyl] 2-benzylbenzoate has a molecular weight of 283.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 2-benzylbenzoate is sourced from PubChem (CID 18074052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).