3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide

C17H19NO — CID 145167026

IUPAC3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide
SMILESC=C(C)CC(=O)NC(C)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO/c1-12(2)10-17(19)18-13(3)15-9-8-14-6-4-5-7-16(14)11-15/h4-9,11,13H,1,10H2,2-3H3,(H,18,19)
InChIKeyLQKZEGGBAAMLQL-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.98
Rot. Bonds4

About 3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide

3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide (PubChem CID 145167026) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide.

Molecular Properties

Compound Name3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide
PubChem CID145167026
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide
SMILESC=C(C)CC(=O)NC(C)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO/c1-12(2)10-17(19)18-13(3)15-9-8-14-6-4-5-7-16(14)11-15/h4-9,11,13H,1,10H2,2-3H3,(H,18,19)
InChIKeyLQKZEGGBAAMLQL-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(1-naphthalen-2-ylethyl)penta-1,4-dien-2-amine
CID 146180917
2-methoxy-N-(1-naphthalen-2-ylethyl)acetamide
CID 43011314
N-[(1S)-1-naphthalen-2-ylethyl]-2-[4,7,10-tris[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 102115111
2-(4-methoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 974464
N-[(1S)-1-naphthalen-2-ylethyl]-2-phenoxyacetamide
CID 7899710
N-(1-naphthalen-2-ylethyl)hexanamide
CID 112762295
2-(2,6-dichlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 7899735
2-[methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 9050148
N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 101382734
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 97256745
2-(2-methoxyethoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 43022550
2-[2-hydroxyethyl(methyl)amino]-N-(1-naphthalen-2-ylethyl)acetamide
CID 110880775

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide?
The IUPAC name of 3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide (CID 145167026) is 3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide.
What is the SMILES notation for 3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide?
The canonical SMILES for 3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide is C=C(C)CC(=O)NC(C)c1ccc2ccccc2c1.
What is the InChIKey of 3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide?
The InChIKey is LQKZEGGBAAMLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12(2)10-17(19)18-13(3)15-9-8-14-6-4-5-7-16(14)11-15/h4-9,11,13H,1,10H2,2-3H3,(H,18,19).
What are the key properties of 3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide?
3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide has a molecular weight of 253.34 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide is sourced from PubChem (CID 145167026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).