[2-(benzylamino)-2-oxoethyl] 2,5-dimethylbenzoate

C18H19NO3 — CID 2519930

IUPAC[2-(benzylamino)-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCc1ccc(C)c(C(=O)OCC(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H19NO3/c1-13-8-9-14(2)16(10-13)18(21)22-12-17(20)19-11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyYDBQCZMFOLOBFW-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.78
Rot. Bonds5

About [2-(benzylamino)-2-oxoethyl] 2,5-dimethylbenzoate

[2-(benzylamino)-2-oxoethyl] 2,5-dimethylbenzoate (PubChem CID 2519930) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2,5-dimethylbenzoate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2,5-dimethylbenzoate
PubChem CID2519930
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCc1ccc(C)c(C(=O)OCC(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H19NO3/c1-13-8-9-14(2)16(10-13)18(21)22-12-17(20)19-11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyYDBQCZMFOLOBFW-UHFFFAOYSA-N
XLogP2.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(benzylamino)-2-oxoethyl] 2,5-dimethylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(benzylamino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 2544191
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 8535459
[2-[(3-methylphenyl)methylamino]-2-oxoethyl] 2-methylbenzoate
CID 46860409
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate
CID 26919223
(2-anilino-2-oxoethyl) 2,5-dimethylbenzoate
CID 2519928
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate
CID 35794790
(2-benzamido-2-oxoethyl) 2,5-dimethylbenzoate
CID 2519727
[2-(benzylamino)-2-oxoethyl] 2,6-dimethylbenzoate
CID 171350713
[2-(benzhydrylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519942
[2-(benzylamino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386501
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2,4-dimethylbenzoate
CID 7796124
[2-(benzylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 3266695

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2,5-dimethylbenzoate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2,5-dimethylbenzoate (CID 2519930) is [2-(benzylamino)-2-oxoethyl] 2,5-dimethylbenzoate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2,5-dimethylbenzoate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2,5-dimethylbenzoate is Cc1ccc(C)c(C(=O)OCC(=O)NCc2ccccc2)c1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2,5-dimethylbenzoate?
The InChIKey is YDBQCZMFOLOBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-8-9-14(2)16(10-13)18(21)22-12-17(20)19-11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,19,20).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 2,5-dimethylbenzoate?
[2-(benzylamino)-2-oxoethyl] 2,5-dimethylbenzoate has a molecular weight of 297.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 2,5-dimethylbenzoate is sourced from PubChem (CID 2519930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).