[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[methyl(phenyl)carbamoyl]benzoate

C25H24N2O4 — CID 55392029

IUPAC[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[methyl(phenyl)carbamoyl]benzoate
SMILESCN(C)C(=O)C(OC(=O)c1ccccc1C(=O)N(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24N2O4/c1-26(2)24(29)22(18-12-6-4-7-13-18)31-25(30)21-17-11-10-16-20(21)23(28)27(3)19-14-8-5-9-15-19/h4-17,22H,1-3H3
InChIKeyYMBHJJVPGPRSCR-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.95
Rot. Bonds6

About [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[methyl(phenyl)carbamoyl]benzoate

[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[methyl(phenyl)carbamoyl]benzoate (PubChem CID 55392029) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[methyl(phenyl)carbamoyl]benzoate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[methyl(phenyl)carbamoyl]benzoate
PubChem CID55392029
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[methyl(phenyl)carbamoyl]benzoate
SMILESCN(C)C(=O)C(OC(=O)c1ccccc1C(=O)N(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24N2O4/c1-26(2)24(29)22(18-12-6-4-7-13-18)31-25(30)21-17-11-10-16-20(21)23(28)27(3)19-14-8-5-9-15-19/h4-17,22H,1-3H3
InChIKeyYMBHJJVPGPRSCR-UHFFFAOYSA-N
XLogP3.95
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-methylsulfanylbenzoate
CID 18199169
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate
CID 8835498
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate
CID 8835500
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate
CID 55390142
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(phenoxymethyl)benzoate
CID 18199295
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
CID 7696216
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
CID 27765842
[2-(dimethylamino)-2-oxo-1-phenylethyl] 4-bromobenzoate
CID 18198752
[1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 18102660
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,3-dimethylanilino)benzoate
CID 7602262
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9134419
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 7738779

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[methyl(phenyl)carbamoyl]benzoate?
The IUPAC name of [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[methyl(phenyl)carbamoyl]benzoate (CID 55392029) is [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[methyl(phenyl)carbamoyl]benzoate.
What is the SMILES notation for [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[methyl(phenyl)carbamoyl]benzoate?
The canonical SMILES for [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[methyl(phenyl)carbamoyl]benzoate is CN(C)C(=O)C(OC(=O)c1ccccc1C(=O)N(C)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[methyl(phenyl)carbamoyl]benzoate?
The InChIKey is YMBHJJVPGPRSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-26(2)24(29)22(18-12-6-4-7-13-18)31-25(30)21-17-11-10-16-20(21)23(28)27(3)19-14-8-5-9-15-19/h4-17,22H,1-3H3.
What are the key properties of [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[methyl(phenyl)carbamoyl]benzoate?
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[methyl(phenyl)carbamoyl]benzoate has a molecular weight of 416.48 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[methyl(phenyl)carbamoyl]benzoate is sourced from PubChem (CID 55392029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).