N-(2-methylnaphthalen-1-yl)but-2-enamide

C15H15NO — CID 154201467

IUPACN-(2-methylnaphthalen-1-yl)but-2-enamide
SMILESCC=CC(=O)Nc1c(C)ccc2ccccc12
InChIInChI=1S/C15H15NO/c1-3-6-14(17)16-15-11(2)9-10-12-7-4-5-8-13(12)15/h3-10H,1-2H3,(H,16,17)
InChIKeyOIMWZKDXCWSUDS-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.66
Rot. Bonds2

About N-(2-methylnaphthalen-1-yl)but-2-enamide

N-(2-methylnaphthalen-1-yl)but-2-enamide (PubChem CID 154201467) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(2-methylnaphthalen-1-yl)but-2-enamide.

Molecular Properties

Compound NameN-(2-methylnaphthalen-1-yl)but-2-enamide
PubChem CID154201467
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC NameN-(2-methylnaphthalen-1-yl)but-2-enamide
SMILESCC=CC(=O)Nc1c(C)ccc2ccccc12
InChIInChI=1S/C15H15NO/c1-3-6-14(17)16-15-11(2)9-10-12-7-4-5-8-13(12)15/h3-10H,1-2H3,(H,16,17)
InChIKeyOIMWZKDXCWSUDS-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(2-methylnaphthalen-1-yl)carbamate
CID 171853862
methyl 2-[(2-methylnaphthalen-1-yl)amino]-2-oxoacetate
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N-(2-methylnaphthalen-1-yl)-2-naphthalen-1-yloxyacetamide
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3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 5178128
2-[(2-methylnaphthalen-1-yl)amino]propanoic acid
CID 22906744
(Z)-N-phenylbut-2-enamide
CID 59909226
3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide
CID 1117397
N-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide
CID 6951819
N'-(2-methylnaphthalen-1-yl)-N-(pyridin-4-ylmethyl)oxamide
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N-(2-methylnaphthalen-1-yl)methanesulfonamide
CID 1482866

Frequently Asked Questions

What is the IUPAC name of N-(2-methylnaphthalen-1-yl)but-2-enamide?
The IUPAC name of N-(2-methylnaphthalen-1-yl)but-2-enamide (CID 154201467) is N-(2-methylnaphthalen-1-yl)but-2-enamide.
What is the SMILES notation for N-(2-methylnaphthalen-1-yl)but-2-enamide?
The canonical SMILES for N-(2-methylnaphthalen-1-yl)but-2-enamide is CC=CC(=O)Nc1c(C)ccc2ccccc12.
What is the InChIKey of N-(2-methylnaphthalen-1-yl)but-2-enamide?
The InChIKey is OIMWZKDXCWSUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-3-6-14(17)16-15-11(2)9-10-12-7-4-5-8-13(12)15/h3-10H,1-2H3,(H,16,17).
What are the key properties of N-(2-methylnaphthalen-1-yl)but-2-enamide?
N-(2-methylnaphthalen-1-yl)but-2-enamide has a molecular weight of 225.29 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylnaphthalen-1-yl)but-2-enamide is sourced from PubChem (CID 154201467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).