3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-piperidin-3-ylethyl)butanamide

C24H33N3O2 — CID 119558247

IUPAC3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-piperidin-3-ylethyl)butanamide
SMILESCC(C)C(NC(=O)Cc1ccc2ccccc2c1)C(=O)NCCC1CCCNC1
InChIInChI=1S/C24H33N3O2/c1-17(2)23(24(29)26-13-11-18-6-5-12-25-16-18)27-22(28)15-19-9-10-20-7-3-4-8-21(20)14-19/h3-4,7-10,14,17-18,23,25H,5-6,11-13,15-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyJHFNPKZDHZYELJ-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.03
Rot. Bonds8

About 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-piperidin-3-ylethyl)butanamide

3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-piperidin-3-ylethyl)butanamide (PubChem CID 119558247) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-piperidin-3-ylethyl)butanamide.

Molecular Properties

Compound Name3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-piperidin-3-ylethyl)butanamide
PubChem CID119558247
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-piperidin-3-ylethyl)butanamide
SMILESCC(C)C(NC(=O)Cc1ccc2ccccc2c1)C(=O)NCCC1CCCNC1
InChIInChI=1S/C24H33N3O2/c1-17(2)23(24(29)26-13-11-18-6-5-12-25-16-18)27-22(28)15-19-9-10-20-7-3-4-8-21(20)14-19/h3-4,7-10,14,17-18,23,25H,5-6,11-13,15-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyJHFNPKZDHZYELJ-UHFFFAOYSA-N
XLogP3.03
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-piperidin-3-ylethyl)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

3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide
CID 119558164
N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119558012
2-naphthalen-2-yl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119537609
2-(1-benzofuran-2-yl)-N-(2-piperidin-3-ylethyl)propanamide
CID 119557256
N-[(2R)-2-(ethylamino)propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide;hydrochloride
CID 120653472
2-benzylsulfanyl-N-(2-piperidin-3-ylethyl)propanamide
CID 119555725
2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]-2-phenylacetamide
CID 119555564
3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60575785
2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555477
2-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60895170

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-piperidin-3-ylethyl)butanamide?
The IUPAC name of 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-piperidin-3-ylethyl)butanamide (CID 119558247) is 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-piperidin-3-ylethyl)butanamide.
What is the SMILES notation for 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-piperidin-3-ylethyl)butanamide?
The canonical SMILES for 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-piperidin-3-ylethyl)butanamide is CC(C)C(NC(=O)Cc1ccc2ccccc2c1)C(=O)NCCC1CCCNC1.
What is the InChIKey of 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-piperidin-3-ylethyl)butanamide?
The InChIKey is JHFNPKZDHZYELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-17(2)23(24(29)26-13-11-18-6-5-12-25-16-18)27-22(28)15-19-9-10-20-7-3-4-8-21(20)14-19/h3-4,7-10,14,17-18,23,25H,5-6,11-13,15-16H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-piperidin-3-ylethyl)butanamide?
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-piperidin-3-ylethyl)butanamide has a molecular weight of 395.55 g/mol, XLogP of 3.03, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-piperidin-3-ylethyl)butanamide is sourced from PubChem (CID 119558247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).