3-[4-(dimethylamino)phenyl]-N,3-dihydroxy-N-methyl-3-(4-methylphenyl)propanamide

C19H24N2O3 — CID 72703287

IUPAC3-[4-(dimethylamino)phenyl]-N,3-dihydroxy-N-methyl-3-(4-methylphenyl)propanamide
SMILESCc1ccc(C(O)(CC(=O)N(C)O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O3/c1-14-5-7-15(8-6-14)19(23,13-18(22)21(4)24)16-9-11-17(12-10-16)20(2)3/h5-12,23-24H,13H2,1-4H3
InChIKeyHZWSTQWGXQGWPJ-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.53
Rot. Bonds5

About 3-[4-(dimethylamino)phenyl]-N,3-dihydroxy-N-methyl-3-(4-methylphenyl)propanamide

3-[4-(dimethylamino)phenyl]-N,3-dihydroxy-N-methyl-3-(4-methylphenyl)propanamide (PubChem CID 72703287) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N,3-dihydroxy-N-methyl-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N,3-dihydroxy-N-methyl-3-(4-methylphenyl)propanamide
PubChem CID72703287
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-[4-(dimethylamino)phenyl]-N,3-dihydroxy-N-methyl-3-(4-methylphenyl)propanamide
SMILESCc1ccc(C(O)(CC(=O)N(C)O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O3/c1-14-5-7-15(8-6-14)19(23,13-18(22)21(4)24)16-9-11-17(12-10-16)20(2)3/h5-12,23-24H,13H2,1-4H3
InChIKeyHZWSTQWGXQGWPJ-UHFFFAOYSA-N
XLogP2.53
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis[4-(dimethylamino)phenyl]-(4-methylphenyl)methanol
CID 3639181
4-[4-(dimethylamino)phenyl]-4-methylpentan-2-one
CID 30469812
1-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)prop-2-yn-1-ol
CID 90194909
ethyl 3-[4-(dimethylamino)phenyl]-2-ethyl-3-hydroxybutanoate
CID 62394361
1,1-bis[4-(dimethylamino)phenyl]pentan-1-ol
CID 2196857
dimethyl 2-[4-(dimethylamino)phenyl]-2-hydroxypropanedioate
CID 2750049
N-[4-(dimethylamino)phenyl]-2-methyl-2-(4-methylphenyl)propanamide
CID 113198132
2-[4-(dimethylamino)phenyl]-2-ethyl-3-oxobutanoic acid
CID 70413233
3,3,3-trifluoro-N-methyl-N-(4-methylphenyl)propanamide
CID 141436970
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 18736513
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N,3-dihydroxy-N-methyl-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N,3-dihydroxy-N-methyl-3-(4-methylphenyl)propanamide (CID 72703287) is 3-[4-(dimethylamino)phenyl]-N,3-dihydroxy-N-methyl-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N,3-dihydroxy-N-methyl-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N,3-dihydroxy-N-methyl-3-(4-methylphenyl)propanamide is Cc1ccc(C(O)(CC(=O)N(C)O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N,3-dihydroxy-N-methyl-3-(4-methylphenyl)propanamide?
The InChIKey is HZWSTQWGXQGWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-5-7-15(8-6-14)19(23,13-18(22)21(4)24)16-9-11-17(12-10-16)20(2)3/h5-12,23-24H,13H2,1-4H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-N,3-dihydroxy-N-methyl-3-(4-methylphenyl)propanamide?
3-[4-(dimethylamino)phenyl]-N,3-dihydroxy-N-methyl-3-(4-methylphenyl)propanamide has a molecular weight of 328.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-N,3-dihydroxy-N-methyl-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 72703287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).