[2-(benzylamino)-2-oxoethyl] 2,4-dimethylbenzoate

C18H19NO3 — CID 2544191

IUPAC[2-(benzylamino)-2-oxoethyl] 2,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NCc2ccccc2)c(C)c1
InChIInChI=1S/C18H19NO3/c1-13-8-9-16(14(2)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)
InChIKeyMOEZDQAXKSRQQN-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.78
Rot. Bonds5

About [2-(benzylamino)-2-oxoethyl] 2,4-dimethylbenzoate

[2-(benzylamino)-2-oxoethyl] 2,4-dimethylbenzoate (PubChem CID 2544191) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2,4-dimethylbenzoate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2,4-dimethylbenzoate
PubChem CID2544191
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NCc2ccccc2)c(C)c1
InChIInChI=1S/C18H19NO3/c1-13-8-9-16(14(2)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)
InChIKeyMOEZDQAXKSRQQN-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] 2,5-dimethylbenzoate
CID 2519930
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2,4-dimethylbenzoate
CID 7796124
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2,4-dimethylbenzoate
CID 9229662
[2-[(3-methylphenyl)methylamino]-2-oxoethyl] 2-methylbenzoate
CID 46860409
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 8535459
[2-oxo-2-(prop-2-ynylamino)ethyl] 2,4-dimethylbenzoate
CID 9229617
[2-(benzylamino)-2-oxoethyl] 2,6-dimethylbenzoate
CID 171350713
benzyl 2,4-dimethylbenzoate;dihydrochloride
CID 156703415
[2-(benzylamino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386501
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7472867
[2-(benzylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 55471138
[2-(benzylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2338039

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2,4-dimethylbenzoate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2,4-dimethylbenzoate (CID 2544191) is [2-(benzylamino)-2-oxoethyl] 2,4-dimethylbenzoate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2,4-dimethylbenzoate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2,4-dimethylbenzoate is Cc1ccc(C(=O)OCC(=O)NCc2ccccc2)c(C)c1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2,4-dimethylbenzoate?
The InChIKey is MOEZDQAXKSRQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-8-9-16(14(2)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] 2,4-dimethylbenzoate?
[2-(benzylamino)-2-oxoethyl] 2,4-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] 2,4-dimethylbenzoate is sourced from PubChem (CID 2544191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).