1-[1-acetyl-6-(diethylamino)naphthalen-2-yl]ethanone

C18H21NO2 — CID 175411102

IUPAC1-[1-acetyl-6-(diethylamino)naphthalen-2-yl]ethanone
SMILESCCN(CC)c1ccc2c(C(C)=O)c(C(C)=O)ccc2c1
InChIInChI=1S/C18H21NO2/c1-5-19(6-2)15-8-10-17-14(11-15)7-9-16(12(3)20)18(17)13(4)21/h7-11H,5-6H2,1-4H3
InChIKeyLEFAZYGRRDJFIA-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.09
Rot. Bonds5

About 1-[1-acetyl-6-(diethylamino)naphthalen-2-yl]ethanone

1-[1-acetyl-6-(diethylamino)naphthalen-2-yl]ethanone (PubChem CID 175411102) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[1-acetyl-6-(diethylamino)naphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-acetyl-6-(diethylamino)naphthalen-2-yl]ethanone
PubChem CID175411102
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-[1-acetyl-6-(diethylamino)naphthalen-2-yl]ethanone
SMILESCCN(CC)c1ccc2c(C(C)=O)c(C(C)=O)ccc2c1
InChIInChI=1S/C18H21NO2/c1-5-19(6-2)15-8-10-17-14(11-15)7-9-16(12(3)20)18(17)13(4)21/h7-11H,5-6H2,1-4H3
InChIKeyLEFAZYGRRDJFIA-UHFFFAOYSA-N
XLogP4.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(diethylamino)-2-nitrophenyl]ethanone
CID 46769566
1-[2-benzoyl-5-(diethylamino)phenyl]ethanone
CID 151104618
propyl 3-(diethylamino)anthracene-9-carboxylate
CID 135564260
bis[2-chloro-4-(diethylamino)phenyl]methanone
CID 139673948
N,N-diethyl-5-methylnaphthalen-2-amine
CID 22944612
2-chloro-4-(diethylamino)benzoic acid
CID 62945761
1-[2-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 104529004
1-[2-amino-5-[ethyl(2-ethylbutyl)amino]phenyl]ethanone
CID 104612406
(Z)-4-[4-(diethylamino)-2-methylphenyl]pent-3-en-2-one
CID 167297529
2-acetyl-6-methoxynaphthalene-1-carboxylic acid
CID 90348531
1-[2-amino-4-[3-(diethylamino)propyl-ethylamino]phenyl]ethanone
CID 102991273
3-(4-acetyl-3-hydroxyphenyl)-7-(diethylamino)-4-methylchromen-2-one
CID 177429435

Frequently Asked Questions

What is the IUPAC name of 1-[1-acetyl-6-(diethylamino)naphthalen-2-yl]ethanone?
The IUPAC name of 1-[1-acetyl-6-(diethylamino)naphthalen-2-yl]ethanone (CID 175411102) is 1-[1-acetyl-6-(diethylamino)naphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[1-acetyl-6-(diethylamino)naphthalen-2-yl]ethanone?
The canonical SMILES for 1-[1-acetyl-6-(diethylamino)naphthalen-2-yl]ethanone is CCN(CC)c1ccc2c(C(C)=O)c(C(C)=O)ccc2c1.
What is the InChIKey of 1-[1-acetyl-6-(diethylamino)naphthalen-2-yl]ethanone?
The InChIKey is LEFAZYGRRDJFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-5-19(6-2)15-8-10-17-14(11-15)7-9-16(12(3)20)18(17)13(4)21/h7-11H,5-6H2,1-4H3.
What are the key properties of 1-[1-acetyl-6-(diethylamino)naphthalen-2-yl]ethanone?
1-[1-acetyl-6-(diethylamino)naphthalen-2-yl]ethanone has a molecular weight of 283.37 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-acetyl-6-(diethylamino)naphthalen-2-yl]ethanone is sourced from PubChem (CID 175411102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).