[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,3-dimethylanilino)benzoate

C25H26N2O3 — CID 7602262

IUPAC[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,3-dimethylanilino)benzoate
SMILESCc1cccc(Nc2ccccc2C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)c1C
InChIInChI=1S/C25H26N2O3/c1-17-11-10-16-21(18(17)2)26-22-15-9-8-14-20(22)25(29)30-23(24(28)27(3)4)19-12-6-5-7-13-19/h5-16,23,26H,1-4H3/t23-/m1/s1
InChIKeyKBTINMXAYPQZHQ-HSZRJFAPSA-N
MW402.49 g/mol
LogP5.03
Rot. Bonds6

About [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,3-dimethylanilino)benzoate

[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,3-dimethylanilino)benzoate (PubChem CID 7602262) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,3-dimethylanilino)benzoate.

Molecular Properties

Compound Name[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,3-dimethylanilino)benzoate
PubChem CID7602262
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,3-dimethylanilino)benzoate
SMILESCc1cccc(Nc2ccccc2C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)c1C
InChIInChI=1S/C25H26N2O3/c1-17-11-10-16-21(18(17)2)26-22-15-9-8-14-20(22)25(29)30-23(24(28)27(3)4)19-12-6-5-7-13-19/h5-16,23,26H,1-4H3/t23-/m1/s1
InChIKeyKBTINMXAYPQZHQ-HSZRJFAPSA-N
XLogP5.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,3-dimethylanilino)benzoate with MolForge

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Related Compounds

[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2,3-dimethylanilino)benzoate
CID 7752626
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-methylsulfanylbenzoate
CID 18199169
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 55392029
CID 10739949
CID 10739949
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate
CID 55390142
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(phenoxymethyl)benzoate
CID 18199295
copper 2-(2,3-dimethylanilino)benzoate
CID 135564277
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate
CID 8835500
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate
CID 8835498
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,3-dimethylanilino)benzoate
CID 2568929
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 5-methylthiophene-2-carboxylate
CID 9415083
deuterio 2-(2,3-dimethylanilino)benzoate
CID 175757896

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,3-dimethylanilino)benzoate?
The IUPAC name of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,3-dimethylanilino)benzoate (CID 7602262) is [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,3-dimethylanilino)benzoate.
What is the SMILES notation for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,3-dimethylanilino)benzoate?
The canonical SMILES for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,3-dimethylanilino)benzoate is Cc1cccc(Nc2ccccc2C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)c1C.
What is the InChIKey of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,3-dimethylanilino)benzoate?
The InChIKey is KBTINMXAYPQZHQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-17-11-10-16-21(18(17)2)26-22-15-9-8-14-20(22)25(29)30-23(24(28)27(3)4)19-12-6-5-7-13-19/h5-16,23,26H,1-4H3/t23-/m1/s1.
What are the key properties of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,3-dimethylanilino)benzoate?
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,3-dimethylanilino)benzoate has a molecular weight of 402.49 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,3-dimethylanilino)benzoate is sourced from PubChem (CID 7602262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).