N-(2,6-dimethylphenyl)-3-(naphthalen-1-ylmethylamino)butanamide

C23H26N2O — CID 90670385

IUPACN-(2,6-dimethylphenyl)-3-(naphthalen-1-ylmethylamino)butanamide
SMILESCc1cccc(C)c1NC(=O)CC(C)NCc1cccc2ccccc12
InChIInChI=1S/C23H26N2O/c1-16-8-6-9-17(2)23(16)25-22(26)14-18(3)24-15-20-12-7-11-19-10-4-5-13-21(19)20/h4-13,18,24H,14-15H2,1-3H3,(H,25,26)
InChIKeyCAKAVJZCCHGNBP-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.96
Rot. Bonds6

About N-(2,6-dimethylphenyl)-3-(naphthalen-1-ylmethylamino)butanamide

N-(2,6-dimethylphenyl)-3-(naphthalen-1-ylmethylamino)butanamide (PubChem CID 90670385) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-(naphthalen-1-ylmethylamino)butanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-(naphthalen-1-ylmethylamino)butanamide
PubChem CID90670385
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC NameN-(2,6-dimethylphenyl)-3-(naphthalen-1-ylmethylamino)butanamide
SMILESCc1cccc(C)c1NC(=O)CC(C)NCc1cccc2ccccc12
InChIInChI=1S/C23H26N2O/c1-16-8-6-9-17(2)23(16)25-22(26)14-18(3)24-15-20-12-7-11-19-10-4-5-13-21(19)20/h4-13,18,24H,14-15H2,1-3H3,(H,25,26)
InChIKeyCAKAVJZCCHGNBP-UHFFFAOYSA-N
XLogP4.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,6-dimethylphenyl)-3-(naphthalen-1-ylmethylamino)butanamide 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-acetamidophenyl)methyl]-1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidine-4-carboxamide
CID 86276129
N-(7,8-Dimethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-N-phenethyl-acetamide
CID 855653
7-Methyl-3-[(2-o-tolyl-ethylamino)-methyl]-1H-quinolin-2-one
CID 3176400
7-Methyl-3-[(2-m-tolyl-ethylamino)-methyl]-1H-quinolin-2-one
CID 3176403
6,8-Dimethyl-3-[(2-m-tolyl-ethylamino)-methyl]-1H-quinolin-2-one
CID 3176405
N,N-dimethyl-2-[(1-naphthylacetyl)amino]benzamide
CID 4942535
N-(3-methylphenyl)-2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetamide
CID 2963473
2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)-N-phenylacetamide
CID 2969438
5H-Dibenzo[a,d]cycloheptene-5-carboxylic acid (2,6-diisopropyl-phenyl)-amide
CID 10069280
10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carboxylic acid (2,6-diisopropyl-phenyl)-amide
CID 10386122
1-(2,6-Diisopropyl-phenyl)-3-(2-naphthalen-1-yl-ethyl)-urea
CID 14977470
1-(2,6-Diisopropyl-phenyl)-3-(2-naphthalen-2-yl-ethyl)-urea
CID 14977471

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-(naphthalen-1-ylmethylamino)butanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-(naphthalen-1-ylmethylamino)butanamide (CID 90670385) is N-(2,6-dimethylphenyl)-3-(naphthalen-1-ylmethylamino)butanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-(naphthalen-1-ylmethylamino)butanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-(naphthalen-1-ylmethylamino)butanamide is Cc1cccc(C)c1NC(=O)CC(C)NCc1cccc2ccccc12.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-(naphthalen-1-ylmethylamino)butanamide?
The InChIKey is CAKAVJZCCHGNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-16-8-6-9-17(2)23(16)25-22(26)14-18(3)24-15-20-12-7-11-19-10-4-5-13-21(19)20/h4-13,18,24H,14-15H2,1-3H3,(H,25,26).
What are the key properties of N-(2,6-dimethylphenyl)-3-(naphthalen-1-ylmethylamino)butanamide?
N-(2,6-dimethylphenyl)-3-(naphthalen-1-ylmethylamino)butanamide has a molecular weight of 346.47 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-(naphthalen-1-ylmethylamino)butanamide is sourced from PubChem (CID 90670385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).