N-ethyl-4-naphthalen-2-yl-4-oxobutanamide

C16H17NO2 — CID 9076388

IUPACN-ethyl-4-naphthalen-2-yl-4-oxobutanamide
SMILESCCNC(=O)CCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H17NO2/c1-2-17-16(19)10-9-15(18)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11H,2,9-10H2,1H3,(H,17,19)
InChIKeyRONYITYDIGXBTK-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.94
Rot. Bonds5

About N-ethyl-4-naphthalen-2-yl-4-oxobutanamide

N-ethyl-4-naphthalen-2-yl-4-oxobutanamide (PubChem CID 9076388) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-ethyl-4-naphthalen-2-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-ethyl-4-naphthalen-2-yl-4-oxobutanamide
PubChem CID9076388
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-ethyl-4-naphthalen-2-yl-4-oxobutanamide
SMILESCCNC(=O)CCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H17NO2/c1-2-17-16(19)10-9-15(18)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11H,2,9-10H2,1H3,(H,17,19)
InChIKeyRONYITYDIGXBTK-UHFFFAOYSA-N
XLogP2.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide
CID 94261400
dimethyl-[[2-[[(4-naphthalen-2-yl-4-oxobutanoyl)amino]methyl]phenyl]methyl]azanium
CID 9069574
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 34797434
4-naphthalen-2-yl-4-oxo-N-[(1R)-1-phenylethyl]butanamide
CID 8866306
N,N-diethyl-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide
CID 9093109
N-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide
CID 9073279
1-(6-butanoylnaphthalen-2-yl)butan-1-one
CID 170450514
N-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide
CID 94268012
N-cyclopropyl-2-[2-(4-naphthalen-2-yl-4-oxobutanoyl)hydrazinyl]-2-oxoacetamide
CID 8532575
N-ethyl-4-[4-(2-fluorophenyl)phenyl]-4-oxobutanamide
CID 163430114
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-naphthalen-2-yl-4-oxobutanamide
CID 9092058

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-naphthalen-2-yl-4-oxobutanamide?
The IUPAC name of N-ethyl-4-naphthalen-2-yl-4-oxobutanamide (CID 9076388) is N-ethyl-4-naphthalen-2-yl-4-oxobutanamide.
What is the SMILES notation for N-ethyl-4-naphthalen-2-yl-4-oxobutanamide?
The canonical SMILES for N-ethyl-4-naphthalen-2-yl-4-oxobutanamide is CCNC(=O)CCC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-ethyl-4-naphthalen-2-yl-4-oxobutanamide?
The InChIKey is RONYITYDIGXBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-2-17-16(19)10-9-15(18)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11H,2,9-10H2,1H3,(H,17,19).
What are the key properties of N-ethyl-4-naphthalen-2-yl-4-oxobutanamide?
N-ethyl-4-naphthalen-2-yl-4-oxobutanamide has a molecular weight of 255.32 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-naphthalen-2-yl-4-oxobutanamide is sourced from PubChem (CID 9076388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).