N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-4-(methylamino)butanamide;hydrochloride

C22H31ClN2O2 — CID 119773875

IUPACN-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)N(Cc1c(OC)ccc2ccccc12)C1CCCC1.Cl
InChIInChI=1S/C22H30N2O2.ClH/c1-23-15-7-12-22(25)24(18-9-4-5-10-18)16-20-19-11-6-3-8-17(19)13-14-21(20)26-2;/h3,6,8,11,13-14,18,23H,4-5,7,9-10,12,15-16H2,1-2H3;1H
InChIKeyBYLINHVXFVLYPN-UHFFFAOYSA-N
MW390.96 g/mol
LogP4.54
Rot. Bonds8

About N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-4-(methylamino)butanamide;hydrochloride

N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119773875) has the molecular formula C22H31ClN2O2 and a molecular weight of 390.96 g/mol. Its IUPAC name is N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119773875
Molecular FormulaC22H31ClN2O2
Molecular Weight390.96 g/mol
Exact Mass390.21
IUPAC NameN-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)N(Cc1c(OC)ccc2ccccc12)C1CCCC1.Cl
InChIInChI=1S/C22H30N2O2.ClH/c1-23-15-7-12-22(25)24(18-9-4-5-10-18)16-20-19-11-6-3-8-17(19)13-14-21(20)26-2;/h3,6,8,11,13-14,18,23H,4-5,7,9-10,12,15-16H2,1-2H3;1H
InChIKeyBYLINHVXFVLYPN-UHFFFAOYSA-N
XLogP4.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.96
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-4-(methylamino)butanamide;hydrochloride 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

4-amino-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide
CID 120562266
3-[cyclopentyl-[(2-methoxynaphthalen-1-yl)methyl]amino]propanoic acid
CID 119135272
N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]piperidine-4-carboxamide
CID 119317916
N-cyclopentyl-3-methoxy-N-[(2-methoxynaphthalen-1-yl)methyl]azetidine-1-carboxamide
CID 166343102
N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]pyrrolidine-3-carboxamide
CID 119773890
2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]acetamide
CID 155965042
2-(aminomethyl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-1,3-thiazole-4-carboxamide
CID 119773884
N-cyclopentyl-2-(methylamino)-N-(naphthalen-1-ylmethyl)acetamide;hydrochloride
CID 119773893
1-cyclohexyl-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine
CID 43215559
N-cyclopentyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide
CID 60953691
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119286973
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119715339

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-4-(methylamino)butanamide;hydrochloride (CID 119773875) is N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)N(Cc1c(OC)ccc2ccccc12)C1CCCC1.Cl.
What is the InChIKey of N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is BYLINHVXFVLYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2.ClH/c1-23-15-7-12-22(25)24(18-9-4-5-10-18)16-20-19-11-6-3-8-17(19)13-14-21(20)26-2;/h3,6,8,11,13-14,18,23H,4-5,7,9-10,12,15-16H2,1-2H3;1H.
What are the key properties of N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-4-(methylamino)butanamide;hydrochloride?
N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 390.96 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119773875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).