N-[4-(cyclopentyloxymethyl)phenyl]-4-(methylamino)butanamide;hydrochloride

C17H27ClN2O2 — CID 119795197

IUPACN-[4-(cyclopentyloxymethyl)phenyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccc(COC2CCCC2)cc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-18-12-4-7-17(20)19-15-10-8-14(9-11-15)13-21-16-5-2-3-6-16;/h8-11,16,18H,2-7,12-13H2,1H3,(H,19,20);1H
InChIKeyPUVAXTKDVRRGFW-UHFFFAOYSA-N
MW326.87 g/mol
LogP3.51
Rot. Bonds8

About N-[4-(cyclopentyloxymethyl)phenyl]-4-(methylamino)butanamide;hydrochloride

N-[4-(cyclopentyloxymethyl)phenyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119795197) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-[4-(cyclopentyloxymethyl)phenyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(cyclopentyloxymethyl)phenyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119795197
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC NameN-[4-(cyclopentyloxymethyl)phenyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccc(COC2CCCC2)cc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-18-12-4-7-17(20)19-15-10-8-14(9-11-15)13-21-16-5-2-3-6-16;/h8-11,16,18H,2-7,12-13H2,1H3,(H,19,20);1H
InChIKeyPUVAXTKDVRRGFW-UHFFFAOYSA-N
XLogP3.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyclopentyloxymethyl)phenyl]-2-(methylamino)acetamide
CID 119795210
2-amino-N-[4-(cyclopentyloxymethyl)phenyl]acetamide;hydrochloride
CID 119330098
4-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]butanamide
CID 119742858
N-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119747154
N-[4-[4-(methylamino)butanoylamino]phenyl]cyclopropanecarboxamide
CID 61251881
(2S)-2-amino-N-[4-(cyclopentyloxymethyl)phenyl]propanamide
CID 119330095
methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate
CID 60841899
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119719005
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119670696
N-[4-(cyclopentyloxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120634555

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentyloxymethyl)phenyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[4-(cyclopentyloxymethyl)phenyl]-4-(methylamino)butanamide;hydrochloride (CID 119795197) is N-[4-(cyclopentyloxymethyl)phenyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[4-(cyclopentyloxymethyl)phenyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[4-(cyclopentyloxymethyl)phenyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)Nc1ccc(COC2CCCC2)cc1.Cl.
What is the InChIKey of N-[4-(cyclopentyloxymethyl)phenyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is PUVAXTKDVRRGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-18-12-4-7-17(20)19-15-10-8-14(9-11-15)13-21-16-5-2-3-6-16;/h8-11,16,18H,2-7,12-13H2,1H3,(H,19,20);1H.
What are the key properties of N-[4-(cyclopentyloxymethyl)phenyl]-4-(methylamino)butanamide;hydrochloride?
N-[4-(cyclopentyloxymethyl)phenyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentyloxymethyl)phenyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119795197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).