N-[1-[6-(diethylamino)naphthalen-1-yl]ethyl]-N-methyl-4-(4-methylphenyl)benzamide

C31H34N2O — CID 140524371

IUPACN-[1-[6-(diethylamino)naphthalen-1-yl]ethyl]-N-methyl-4-(4-methylphenyl)benzamide
SMILESCCN(CC)c1ccc2c(C(C)N(C)C(=O)c3ccc(-c4ccc(C)cc4)cc3)cccc2c1
InChIInChI=1S/C31H34N2O/c1-6-33(7-2)28-19-20-30-27(21-28)9-8-10-29(30)23(4)32(5)31(34)26-17-15-25(16-18-26)24-13-11-22(3)12-14-24/h8-21,23H,6-7H2,1-5H3
InChIKeyHTEJBUYSJARHER-UHFFFAOYSA-N
MW450.63 g/mol
LogP7.49
Rot. Bonds7

About N-[1-[6-(diethylamino)naphthalen-1-yl]ethyl]-N-methyl-4-(4-methylphenyl)benzamide

N-[1-[6-(diethylamino)naphthalen-1-yl]ethyl]-N-methyl-4-(4-methylphenyl)benzamide (PubChem CID 140524371) has the molecular formula C31H34N2O and a molecular weight of 450.63 g/mol. Its IUPAC name is N-[1-[6-(diethylamino)naphthalen-1-yl]ethyl]-N-methyl-4-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[1-[6-(diethylamino)naphthalen-1-yl]ethyl]-N-methyl-4-(4-methylphenyl)benzamide
PubChem CID140524371
Molecular FormulaC31H34N2O
Molecular Weight450.63 g/mol
Exact Mass450.27
IUPAC NameN-[1-[6-(diethylamino)naphthalen-1-yl]ethyl]-N-methyl-4-(4-methylphenyl)benzamide
SMILESCCN(CC)c1ccc2c(C(C)N(C)C(=O)c3ccc(-c4ccc(C)cc4)cc3)cccc2c1
InChIInChI=1S/C31H34N2O/c1-6-33(7-2)28-19-20-30-27(21-28)9-8-10-29(30)23(4)32(5)31(34)26-17-15-25(16-18-26)24-13-11-22(3)12-14-24/h8-21,23H,6-7H2,1-5H3
InChIKeyHTEJBUYSJARHER-UHFFFAOYSA-N
XLogP7.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.63
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[1-[6-(diethylamino)naphthalen-1-yl]ethyl]-N-methyl-4-(4-methylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-5-methylnaphthalen-2-amine
CID 22944612
N-[1-(1-benzofuran-2-yl)ethyl]-N,4-dimethylbenzamide
CID 46551169
4-(diethylamino)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 95195499
1-N,1-N-diethyl-3-N-(4-methylphenyl)-3-N-[4-(4-methylphenyl)phenyl]benzene-1,3-diamine
CID 20761234
3-fluoro-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 134054213
N-[1-(6,7-difluoro-1-oxo-2H-isoquinolin-4-yl)ethyl]-N,4-dimethylbenzamide
CID 170211535
4-(4-methyl-N-(5-methylnaphthalen-2-yl)anilino)benzoic acid
CID 139957866
N-ethyl-N-methyl-3-(4-methylphenyl)benzamide
CID 145356700
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60938948
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
[(Z)-1-[4-[4-[(Z)-N-acetyloxy-C-methylcarbonimidoyl]-N-[6-(diethylamino)naphthalen-1-yl]anilino]phenyl]ethylideneamino] acetate
CID 145264488
3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide
CID 81458555

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(diethylamino)naphthalen-1-yl]ethyl]-N-methyl-4-(4-methylphenyl)benzamide?
The IUPAC name of N-[1-[6-(diethylamino)naphthalen-1-yl]ethyl]-N-methyl-4-(4-methylphenyl)benzamide (CID 140524371) is N-[1-[6-(diethylamino)naphthalen-1-yl]ethyl]-N-methyl-4-(4-methylphenyl)benzamide.
What is the SMILES notation for N-[1-[6-(diethylamino)naphthalen-1-yl]ethyl]-N-methyl-4-(4-methylphenyl)benzamide?
The canonical SMILES for N-[1-[6-(diethylamino)naphthalen-1-yl]ethyl]-N-methyl-4-(4-methylphenyl)benzamide is CCN(CC)c1ccc2c(C(C)N(C)C(=O)c3ccc(-c4ccc(C)cc4)cc3)cccc2c1.
What is the InChIKey of N-[1-[6-(diethylamino)naphthalen-1-yl]ethyl]-N-methyl-4-(4-methylphenyl)benzamide?
The InChIKey is HTEJBUYSJARHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O/c1-6-33(7-2)28-19-20-30-27(21-28)9-8-10-29(30)23(4)32(5)31(34)26-17-15-25(16-18-26)24-13-11-22(3)12-14-24/h8-21,23H,6-7H2,1-5H3.
What are the key properties of N-[1-[6-(diethylamino)naphthalen-1-yl]ethyl]-N-methyl-4-(4-methylphenyl)benzamide?
N-[1-[6-(diethylamino)naphthalen-1-yl]ethyl]-N-methyl-4-(4-methylphenyl)benzamide has a molecular weight of 450.63 g/mol, XLogP of 7.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(diethylamino)naphthalen-1-yl]ethyl]-N-methyl-4-(4-methylphenyl)benzamide is sourced from PubChem (CID 140524371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).