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'}

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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).