[2-(benzylamino)-2-oxoethyl] 2,6-dimethylbenzoate

C18H19NO3 — CID 171350713

IUPAC[2-(benzylamino)-2-oxoethyl] 2,6-dimethylbenzoate
SMILESCc1cccc(C)c1C(=O)OCC(=O)NCc1ccccc1
InChIInChI=1S/C18H19NO3/c1-13-7-6-8-14(2)17(13)18(21)22-12-16(20)19-11-15-9-4-3-5-10-15/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyLHGGWTQIDWURLU-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.78
Rot. Bonds5

About [2-(benzylamino)-2-oxoethyl] 2,6-dimethylbenzoate

[2-(benzylamino)-2-oxoethyl] 2,6-dimethylbenzoate (PubChem CID 171350713) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2,6-dimethylbenzoate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2,6-dimethylbenzoate
PubChem CID171350713
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2,6-dimethylbenzoate
SMILESCc1cccc(C)c1C(=O)OCC(=O)NCc1ccccc1
InChIInChI=1S/C18H19NO3/c1-13-7-6-8-14(2)17(13)18(21)22-12-16(20)19-11-15-9-4-3-5-10-15/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyLHGGWTQIDWURLU-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

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489076
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7472867
[2-(benzylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519930
[2-(benzylamino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 2544191
[2-(benzylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 3266695
[2-[(3-methylphenyl)methylamino]-2-oxoethyl] 2-methylbenzoate
CID 46860409
2-(2-amino-3-methylphenoxy)-N-benzylacetamide
CID 43437998
[2-(benzylamino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386501
2-O-[2-(benzylamino)-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2483224
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,6-difluorobenzoate
CID 9203339
[2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2122372
2-O-[2-(benzylamino)-2-oxoethyl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 17415051

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2,6-dimethylbenzoate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2,6-dimethylbenzoate (CID 171350713) is [2-(benzylamino)-2-oxoethyl] 2,6-dimethylbenzoate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2,6-dimethylbenzoate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2,6-dimethylbenzoate is Cc1cccc(C)c1C(=O)OCC(=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2,6-dimethylbenzoate?
The InChIKey is LHGGWTQIDWURLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-7-6-8-14(2)17(13)18(21)22-12-16(20)19-11-15-9-4-3-5-10-15/h3-10H,11-12H2,1-2H3,(H,19,20).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 2,6-dimethylbenzoate?
[2-(benzylamino)-2-oxoethyl] 2,6-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] 2,6-dimethylbenzoate is sourced from PubChem (CID 171350713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).