4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide

C15H15NO3 — CID 91102040

IUPAC4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(N)=O)c2ccccc12
InChIInChI=1S/C15H15NO3/c1-19-14-8-6-11(13(17)7-9-15(16)18)10-4-2-3-5-12(10)14/h2-6,8H,7,9H2,1H3,(H2,16,18)
InChIKeyGZXCSGCUKGFWOD-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.30
Rot. Bonds5

About 4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide

4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide (PubChem CID 91102040) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide
PubChem CID91102040
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(N)=O)c2ccccc12
InChIInChI=1S/C15H15NO3/c1-19-14-8-6-11(13(17)7-9-15(16)18)10-4-2-3-5-12(10)14/h2-6,8H,7,9H2,1H3,(H2,16,18)
InChIKeyGZXCSGCUKGFWOD-UHFFFAOYSA-N
XLogP2.30
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyethylamino)ethanol;4-(4-methoxynaphthalen-1-yl)-4-oxobutanoic acid
CID 71587270
1-(4-methoxynaphthalen-1-yl)-2-methylsulfanylethanone
CID 147751459
2-[2-(4-methoxynaphthalen-1-yl)-2-oxoethoxy]acetic acid
CID 61328364
4-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 56984225
4-(2,6-dimethoxyphenyl)-4-oxobutanamide
CID 70615258
2-(4-aminophenoxy)-1-(4-methoxynaphthalen-1-yl)ethanone
CID 46307754
[2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596344
[4-(4-methoxynaphthalen-1-yl)-4-oxobutan-2-yl]-methylsulfanium
CID 149125335
3-amino-1-(2-bromo-3,4-dimethoxyphenyl)propan-1-one
CID 117464809
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 4-methoxynaphthalene-1-carboxylate
CID 18139489
[1-(4-methoxynaphthalen-1-yl)ethylideneamino] acetate
CID 59148511
[2-(4-methoxynaphthalen-1-yl)-2-oxoethyl]-methyl-(trifluoromethyl)sulfanium;methylsulfanylmethane
CID 171929339

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide?
The IUPAC name of 4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide (CID 91102040) is 4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide?
The canonical SMILES for 4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide is COc1ccc(C(=O)CCC(N)=O)c2ccccc12.
What is the InChIKey of 4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide?
The InChIKey is GZXCSGCUKGFWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-19-14-8-6-11(13(17)7-9-15(16)18)10-4-2-3-5-12(10)14/h2-6,8H,7,9H2,1H3,(H2,16,18).
What are the key properties of 4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide?
4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide has a molecular weight of 257.29 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide is sourced from PubChem (CID 91102040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).