N-(4-methoxyphenyl)-N-(2-methyl-3-oxo-3-phenylpropyl)prop-2-enamide

C20H21NO3 — CID 101380965

IUPACN-(4-methoxyphenyl)-N-(2-methyl-3-oxo-3-phenylpropyl)prop-2-enamide
SMILESC=CC(=O)N(CC(C)C(=O)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C20H21NO3/c1-4-19(22)21(17-10-12-18(24-3)13-11-17)14-15(2)20(23)16-8-6-5-7-9-16/h4-13,15H,1,14H2,2-3H3
InChIKeyYLALIFNBBJEXIN-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.73
Rot. Bonds7

About N-(4-methoxyphenyl)-N-(2-methyl-3-oxo-3-phenylpropyl)prop-2-enamide

N-(4-methoxyphenyl)-N-(2-methyl-3-oxo-3-phenylpropyl)prop-2-enamide (PubChem CID 101380965) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-(2-methyl-3-oxo-3-phenylpropyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-(2-methyl-3-oxo-3-phenylpropyl)prop-2-enamide
PubChem CID101380965
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC NameN-(4-methoxyphenyl)-N-(2-methyl-3-oxo-3-phenylpropyl)prop-2-enamide
SMILESC=CC(=O)N(CC(C)C(=O)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C20H21NO3/c1-4-19(22)21(17-10-12-18(24-3)13-11-17)14-15(2)20(23)16-8-6-5-7-9-16/h4-13,15H,1,14H2,2-3H3
InChIKeyYLALIFNBBJEXIN-UHFFFAOYSA-N
XLogP3.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-but-3-en-2-yl]-N-(4-methoxyphenyl)benzamide
CID 12035937
N-(4-methoxyphenyl)-N-(3-oxopentyl)prop-2-enamide
CID 101380942
4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one
CID 104845102
(3-methyl-4-oxo-4-phenylbutyl) 4-methoxybenzoate
CID 102488196
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141
1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 12600283
N-(4-methoxyphenyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]prop-2-enamide
CID 166415354
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
(2S,3R)-1-(4-methoxyphenyl)-2,3-dimethylpent-4-en-1-one
CID 132529754
2-ethyl-1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 102585480
4-hydroxy-2-methyl-1-phenylhex-5-en-1-one
CID 139841493
(2R)-1-(4-methoxyphenyl)-2-(4-phenylphenoxy)propan-1-one
CID 2571565

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-(2-methyl-3-oxo-3-phenylpropyl)prop-2-enamide?
The IUPAC name of N-(4-methoxyphenyl)-N-(2-methyl-3-oxo-3-phenylpropyl)prop-2-enamide (CID 101380965) is N-(4-methoxyphenyl)-N-(2-methyl-3-oxo-3-phenylpropyl)prop-2-enamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-(2-methyl-3-oxo-3-phenylpropyl)prop-2-enamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-(2-methyl-3-oxo-3-phenylpropyl)prop-2-enamide is C=CC(=O)N(CC(C)C(=O)c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-(2-methyl-3-oxo-3-phenylpropyl)prop-2-enamide?
The InChIKey is YLALIFNBBJEXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-4-19(22)21(17-10-12-18(24-3)13-11-17)14-15(2)20(23)16-8-6-5-7-9-16/h4-13,15H,1,14H2,2-3H3.
What are the key properties of N-(4-methoxyphenyl)-N-(2-methyl-3-oxo-3-phenylpropyl)prop-2-enamide?
N-(4-methoxyphenyl)-N-(2-methyl-3-oxo-3-phenylpropyl)prop-2-enamide has a molecular weight of 323.39 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-(2-methyl-3-oxo-3-phenylpropyl)prop-2-enamide is sourced from PubChem (CID 101380965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).