[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate

C19H22N2O3 — CID 2519187

IUPAC[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
SMILESCc1ccc(CNC(=O)COC(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H22N2O3/c1-14-4-6-15(7-5-14)12-20-18(22)13-24-19(23)16-8-10-17(11-9-16)21(2)3/h4-11H,12-13H2,1-3H3,(H,20,22)
InChIKeyRSCBOPMFPFNPHF-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.53
Rot. Bonds6

About [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate

[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate (PubChem CID 2519187) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
PubChem CID2519187
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
SMILESCc1ccc(CNC(=O)COC(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H22N2O3/c1-14-4-6-15(7-5-14)12-20-18(22)13-24-19(23)16-8-10-17(11-9-16)21(2)3/h4-11H,12-13H2,1-3H3,(H,20,22)
InChIKeyRSCBOPMFPFNPHF-UHFFFAOYSA-N
XLogP2.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519513
1-O-methyl 4-O-[2-[(4-methylphenyl)methylamino]-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7296519
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2,4-dimethylbenzoate
CID 9229662
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-aminobenzoate
CID 23999522
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 4-phenoxybenzoate
CID 9009322
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate
CID 9200563
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate
CID 2521886
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 9483689
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 9008830
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228996
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)-2-oxoacetamide
CID 37216672

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate?
The IUPAC name of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate (CID 2519187) is [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate.
What is the SMILES notation for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate?
The canonical SMILES for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate is Cc1ccc(CNC(=O)COC(=O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate?
The InChIKey is RSCBOPMFPFNPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-4-6-15(7-5-14)12-20-18(22)13-24-19(23)16-8-10-17(11-9-16)21(2)3/h4-11H,12-13H2,1-3H3,(H,20,22).
What are the key properties of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate?
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate has a molecular weight of 326.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate is sourced from PubChem (CID 2519187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).