(2R)-N-benzyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide

C23H31N3O2 — CID 9287521

IUPAC(2R)-N-benzyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)[C@@H](C)N(C)CC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C23H31N3O2/c1-6-26(15-20-12-8-7-9-13-20)23(28)19(4)25(5)16-22(27)24-21-14-10-11-17(2)18(21)3/h7-14,19H,6,15-16H2,1-5H3,(H,24,27)/t19-/m1/s1
InChIKeyKYAARFJUEIMPSJ-LJQANCHMSA-N
MW381.52 g/mol
LogP3.61
Rot. Bonds8

About (2R)-N-benzyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide

(2R)-N-benzyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide (PubChem CID 9287521) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is (2R)-N-benzyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide
PubChem CID9287521
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name(2R)-N-benzyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)[C@@H](C)N(C)CC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C23H31N3O2/c1-6-26(15-20-12-8-7-9-13-20)23(28)19(4)25(5)16-22(27)24-21-14-10-11-17(2)18(21)3/h7-14,19H,6,15-16H2,1-5H3,(H,24,27)/t19-/m1/s1
InChIKeyKYAARFJUEIMPSJ-LJQANCHMSA-N
XLogP3.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-benzyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide
CID 9221814
(2R)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8710042
N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide
CID 108946105
2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 119268365
2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287667
3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 109031799
2-(diethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 56538678
4-N-benzyl-1-N-(2,3-dimethylphenyl)-4-N-ethylcyclohexane-1,4-dicarboxamide
CID 109148653
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-phenylpropyl)acetamide
CID 40717867
2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119268362
3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119684102
2-[acetyl(2-methylpropyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 113158912

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide?
The IUPAC name of (2R)-N-benzyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide (CID 9287521) is (2R)-N-benzyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide.
What is the SMILES notation for (2R)-N-benzyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide?
The canonical SMILES for (2R)-N-benzyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide is CCN(Cc1ccccc1)C(=O)[C@@H](C)N(C)CC(=O)Nc1cccc(C)c1C.
What is the InChIKey of (2R)-N-benzyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide?
The InChIKey is KYAARFJUEIMPSJ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-6-26(15-20-12-8-7-9-13-20)23(28)19(4)25(5)16-22(27)24-21-14-10-11-17(2)18(21)3/h7-14,19H,6,15-16H2,1-5H3,(H,24,27)/t19-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide?
(2R)-N-benzyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide has a molecular weight of 381.52 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide is sourced from PubChem (CID 9287521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).