N-[3-(dimethylamino)-3-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide

C29H30N2O — CID 69165231

IUPACN-[3-(dimethylamino)-3-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide
SMILESCc1ccc(C(CCNC(=O)c2ccc(-c3ccc4ccccc4c3)cc2)N(C)C)cc1
InChIInChI=1S/C29H30N2O/c1-21-8-10-24(11-9-21)28(31(2)3)18-19-30-29(32)25-15-12-23(13-16-25)27-17-14-22-6-4-5-7-26(22)20-27/h4-17,20,28H,18-19H2,1-3H3,(H,30,32)
InChIKeyYGBOZHDVGUDBTP-UHFFFAOYSA-N
MW422.57 g/mol
LogP6.24
Rot. Bonds7

About N-[3-(dimethylamino)-3-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide

N-[3-(dimethylamino)-3-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide (PubChem CID 69165231) has the molecular formula C29H30N2O and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[3-(dimethylamino)-3-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-3-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide
PubChem CID69165231
Molecular FormulaC29H30N2O
Molecular Weight422.57 g/mol
Exact Mass422.24
IUPAC NameN-[3-(dimethylamino)-3-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide
SMILESCc1ccc(C(CCNC(=O)c2ccc(-c3ccc4ccccc4c3)cc2)N(C)C)cc1
InChIInChI=1S/C29H30N2O/c1-21-8-10-24(11-9-21)28(31(2)3)18-19-30-29(32)25-15-12-23(13-16-25)27-17-14-22-6-4-5-7-26(22)20-27/h4-17,20,28H,18-19H2,1-3H3,(H,30,32)
InChIKeyYGBOZHDVGUDBTP-UHFFFAOYSA-N
XLogP6.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-(dimethylamino)-3-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide 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-[3-(dimethylamino)-3-naphthalen-2-ylpropyl]-4-naphthalen-2-ylbenzamide
CID 69165220
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-phenylbenzamide
CID 8701383
N-(3,3-diphenylpropyl)-4-methylbenzamide
CID 1312769
2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid
CID 80538465
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide
CID 7496074
N-(3-hydroxypentyl)naphthalene-2-carboxamide
CID 115703584
N-(3-hydroxy-4-methylpentyl)naphthalene-2-carboxamide
CID 111461088
N-(3-aminobutyl)-4-methylbenzamide;hydrochloride
CID 119497304
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide
CID 7496029
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide
CID 7496027
N-(3-amino-4-methoxybutyl)naphthalene-2-carboxamide
CID 106243297
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-3-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide?
The IUPAC name of N-[3-(dimethylamino)-3-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide (CID 69165231) is N-[3-(dimethylamino)-3-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide.
What is the SMILES notation for N-[3-(dimethylamino)-3-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide?
The canonical SMILES for N-[3-(dimethylamino)-3-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide is Cc1ccc(C(CCNC(=O)c2ccc(-c3ccc4ccccc4c3)cc2)N(C)C)cc1.
What is the InChIKey of N-[3-(dimethylamino)-3-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide?
The InChIKey is YGBOZHDVGUDBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O/c1-21-8-10-24(11-9-21)28(31(2)3)18-19-30-29(32)25-15-12-23(13-16-25)27-17-14-22-6-4-5-7-26(22)20-27/h4-17,20,28H,18-19H2,1-3H3,(H,30,32).
What are the key properties of N-[3-(dimethylamino)-3-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide?
N-[3-(dimethylamino)-3-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide has a molecular weight of 422.57 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-3-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide is sourced from PubChem (CID 69165231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).