N-[4-(dimethylamino)phenyl]-4-(3-methoxyphenyl)-4-oxobutanamide

C19H22N2O3 — CID 110424715

IUPACN-[4-(dimethylamino)phenyl]-4-(3-methoxyphenyl)-4-oxobutanamide
SMILESCOc1cccc(C(=O)CCC(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H22N2O3/c1-21(2)16-9-7-15(8-10-16)20-19(23)12-11-18(22)14-5-4-6-17(13-14)24-3/h4-10,13H,11-12H2,1-3H3,(H,20,23)
InChIKeyUHQMRVZODQPLDA-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.36
Rot. Bonds7

About N-[4-(dimethylamino)phenyl]-4-(3-methoxyphenyl)-4-oxobutanamide

N-[4-(dimethylamino)phenyl]-4-(3-methoxyphenyl)-4-oxobutanamide (PubChem CID 110424715) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-4-(3-methoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-4-(3-methoxyphenyl)-4-oxobutanamide
PubChem CID110424715
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[4-(dimethylamino)phenyl]-4-(3-methoxyphenyl)-4-oxobutanamide
SMILESCOc1cccc(C(=O)CCC(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H22N2O3/c1-21(2)16-9-7-15(8-10-16)20-19(23)12-11-18(22)14-5-4-6-17(13-14)24-3/h4-10,13H,11-12H2,1-3H3,(H,20,23)
InChIKeyUHQMRVZODQPLDA-UHFFFAOYSA-N
XLogP3.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110606227
methyl 4-[[4-(3-methoxyphenyl)-4-oxobutanoyl]amino]benzoate
CID 110424348
N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide
CID 17454431
N-[4-(dimethylamino)phenyl]-3-(3-methoxyanilino)propanamide
CID 109039563
N-(4-bromo-3-methylphenyl)-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110426251
N-(2-anilino-2-oxoethyl)-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110624279
[2-(3-methoxyphenyl)-2-oxoethyl] 4-(4-methylanilino)-4-oxobutanoate
CID 3850666
1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050069
N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide
CID 110678384
4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110607947
N-[4-(dimethylamino)phenyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796073
N-(1-acetyl-2,3-dihydroindol-6-yl)-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110627267

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-4-(3-methoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-4-(3-methoxyphenyl)-4-oxobutanamide (CID 110424715) is N-[4-(dimethylamino)phenyl]-4-(3-methoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-4-(3-methoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-4-(3-methoxyphenyl)-4-oxobutanamide is COc1cccc(C(=O)CCC(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-4-(3-methoxyphenyl)-4-oxobutanamide?
The InChIKey is UHQMRVZODQPLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-21(2)16-9-7-15(8-10-16)20-19(23)12-11-18(22)14-5-4-6-17(13-14)24-3/h4-10,13H,11-12H2,1-3H3,(H,20,23).
What are the key properties of N-[4-(dimethylamino)phenyl]-4-(3-methoxyphenyl)-4-oxobutanamide?
N-[4-(dimethylamino)phenyl]-4-(3-methoxyphenyl)-4-oxobutanamide has a molecular weight of 326.40 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-4-(3-methoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 110424715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).