(3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide

C21H26N2O2 — CID 9437869

IUPAC(3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)C[C@@H](C)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-15-9-8-10-16(2)21(15)22-19(24)14-23(4)20(25)13-17(3)18-11-6-5-7-12-18/h5-12,17H,13-14H2,1-4H3,(H,22,24)/t17-/m1/s1
InChIKeyUTYUOYPWOPYDMC-QGZVFWFLSA-N
MW338.45 g/mol
LogP3.89
Rot. Bonds6

About (3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide

(3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide (PubChem CID 9437869) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide.

Molecular Properties

Compound Name(3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
PubChem CID9437869
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)C[C@@H](C)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-15-9-8-10-16(2)21(15)22-19(24)14-23(4)20(25)13-17(3)18-11-6-5-7-12-18/h5-12,17H,13-14H2,1-4H3,(H,22,24)/t17-/m1/s1
InChIKeyUTYUOYPWOPYDMC-QGZVFWFLSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119683128
(3S)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-phenylbutanamide
CID 38762946
N-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide
CID 26619662
(3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
CID 9438680
N-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide
CID 4881413
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2,4,5-trioxo-3-(1-phenylethyl)imidazolidin-1-yl]acetamide
CID 55547439
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-methylacetamide
CID 8756094
4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 119267877
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide
CID 9437503
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-3-phenylpropanamide;hydrochloride
CID 119952064
N-(2,6-dimethylphenyl)-2-[methyl-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
CID 42294980
N-(2,6-dimethylphenyl)-2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]-methylamino]acetamide
CID 55628358

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide?
The IUPAC name of (3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide (CID 9437869) is (3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide.
What is the SMILES notation for (3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide?
The canonical SMILES for (3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)C[C@@H](C)c1ccccc1.
What is the InChIKey of (3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide?
The InChIKey is UTYUOYPWOPYDMC-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-9-8-10-16(2)21(15)22-19(24)14-23(4)20(25)13-17(3)18-11-6-5-7-12-18/h5-12,17H,13-14H2,1-4H3,(H,22,24)/t17-/m1/s1.
What are the key properties of (3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide?
(3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide has a molecular weight of 338.45 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide is sourced from PubChem (CID 9437869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).