2,2-dimethyl-N-[(E)-3-(naphthalen-1-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]propanamide

C24H24N2O2 — CID 18859812

IUPAC2,2-dimethyl-N-[(E)-3-(naphthalen-1-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]propanamide
SMILESCC(C)(C)C(=O)N/C(=C/c1ccccc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C24H24N2O2/c1-24(2,3)23(28)26-21(16-17-10-5-4-6-11-17)22(27)25-20-15-9-13-18-12-7-8-14-19(18)20/h4-16H,1-3H3,(H,25,27)(H,26,28)/b21-16+
InChIKeyLFPIXUHFKBQUBI-LTGZKZEYSA-N
MW372.47 g/mol
LogP4.98
Rot. Bonds4

About 2,2-dimethyl-N-[(E)-3-(naphthalen-1-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]propanamide

2,2-dimethyl-N-[(E)-3-(naphthalen-1-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]propanamide (PubChem CID 18859812) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(E)-3-(naphthalen-1-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(E)-3-(naphthalen-1-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]propanamide
PubChem CID18859812
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name2,2-dimethyl-N-[(E)-3-(naphthalen-1-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]propanamide
SMILESCC(C)(C)C(=O)N/C(=C/c1ccccc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C24H24N2O2/c1-24(2,3)23(28)26-21(16-17-10-5-4-6-11-17)22(27)25-20-15-9-13-18-12-7-8-14-19(18)20/h4-16H,1-3H3,(H,25,27)(H,26,28)/b21-16+
InChIKeyLFPIXUHFKBQUBI-LTGZKZEYSA-N
XLogP4.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-(4-methoxyphenyl)-3-(naphthalen-1-ylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 1218137
N-[(Z)-1-(4-methoxyphenyl)-3-(naphthalen-1-ylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2189607
2,2-dimethyl-N-[(E)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]propanamide
CID 18859830
N-[(2S)-4-methyl-1-[[(Z)-3-(naphthalen-1-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]amino]-1-oxopentan-2-yl]naphthalene-1-carboxamide
CID 101018812
2,2-dimethyl-N-[(E)-3-oxo-1-phenyl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]propanamide
CID 18859818
N-[(E)-1-(3,4-dimethoxyphenyl)-3-(2-methoxyanilino)-3-oxoprop-1-en-2-yl]-2,2-dimethylpropanamide
CID 18860017
N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-N-naphthalen-1-yloxamide
CID 45054176
N'-[(2-methyl-3-phenylprop-2-enylidene)amino]-N-naphthalen-1-yloxamide
CID 3350985
2,2-dimethyl-N-[(E)-3-(2-nitroanilino)-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]propanamide
CID 18859919
2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide
CID 4947897
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 42898631
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 132968572

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(E)-3-(naphthalen-1-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(E)-3-(naphthalen-1-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]propanamide (CID 18859812) is 2,2-dimethyl-N-[(E)-3-(naphthalen-1-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(E)-3-(naphthalen-1-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(E)-3-(naphthalen-1-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]propanamide is CC(C)(C)C(=O)N/C(=C/c1ccccc1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2,2-dimethyl-N-[(E)-3-(naphthalen-1-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]propanamide?
The InChIKey is LFPIXUHFKBQUBI-LTGZKZEYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-24(2,3)23(28)26-21(16-17-10-5-4-6-11-17)22(27)25-20-15-9-13-18-12-7-8-14-19(18)20/h4-16H,1-3H3,(H,25,27)(H,26,28)/b21-16+.
What are the key properties of 2,2-dimethyl-N-[(E)-3-(naphthalen-1-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]propanamide?
2,2-dimethyl-N-[(E)-3-(naphthalen-1-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]propanamide has a molecular weight of 372.47 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(E)-3-(naphthalen-1-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]propanamide is sourced from PubChem (CID 18859812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).