N'-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)propanediamide

C20H23N3O3 — CID 95130640

IUPACN'-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)N[C@H](C(=O)N(C)C)c2ccccc2)cc1
InChIInChI=1S/C20H23N3O3/c1-14-9-11-16(12-10-14)21-17(24)13-18(25)22-19(20(26)23(2)3)15-7-5-4-6-8-15/h4-12,19H,13H2,1-3H3,(H,21,24)(H,22,25)/t19-/m0/s1
InChIKeySUKCZGGWTIBDBE-IBGZPJMESA-N
MW353.42 g/mol
LogP2.27
Rot. Bonds6

About N'-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)propanediamide

N'-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)propanediamide (PubChem CID 95130640) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N'-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)propanediamide.

Molecular Properties

Compound NameN'-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)propanediamide
PubChem CID95130640
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN'-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)N[C@H](C(=O)N(C)C)c2ccccc2)cc1
InChIInChI=1S/C20H23N3O3/c1-14-9-11-16(12-10-14)21-17(24)13-18(25)22-19(20(26)23(2)3)15-7-5-4-6-8-15/h4-12,19H,13H2,1-3H3,(H,21,24)(H,22,25)/t19-/m0/s1
InChIKeySUKCZGGWTIBDBE-IBGZPJMESA-N
XLogP2.27
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-N,N-dimethyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-phenylacetamide
CID 8785935
(2S)-2-[[2-(hydroxyamino)acetyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 143355989
2-[(2-formamidoacetyl)amino]-N,N-dimethyl-2-phenylacetamide
CID 143314684
N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
(3S)-N,N-dimethyl-3-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide
CID 94782001
(2R)-N-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-2-phenylacetamide
CID 71906698
N'-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-N-(4-methylphenyl)propanediamide
CID 95128017
N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7899822
2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 9347465
[2-(4-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 4847422

Frequently Asked Questions

What is the IUPAC name of N'-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)propanediamide?
The IUPAC name of N'-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)propanediamide (CID 95130640) is N'-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)propanediamide.
What is the SMILES notation for N'-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)propanediamide?
The canonical SMILES for N'-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)propanediamide is Cc1ccc(NC(=O)CC(=O)N[C@H](C(=O)N(C)C)c2ccccc2)cc1.
What is the InChIKey of N'-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)propanediamide?
The InChIKey is SUKCZGGWTIBDBE-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-9-11-16(12-10-14)21-17(24)13-18(25)22-19(20(26)23(2)3)15-7-5-4-6-8-15/h4-12,19H,13H2,1-3H3,(H,21,24)(H,22,25)/t19-/m0/s1.
What are the key properties of N'-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)propanediamide?
N'-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)propanediamide has a molecular weight of 353.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)propanediamide is sourced from PubChem (CID 95130640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).