N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride

C18H29ClN2O3 — CID 119802521

IUPACN-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCc1ccc(OC)cc1OC1CCCC1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-19-11-5-8-18(21)20-13-14-9-10-16(22-2)12-17(14)23-15-6-3-4-7-15;/h9-10,12,15,19H,3-8,11,13H2,1-2H3,(H,20,21);1H
InChIKeyQCSYGFDKHCXZPW-UHFFFAOYSA-N
MW356.89 g/mol
LogP3.05
Rot. Bonds9

About N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride

N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119802521) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119802521
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC NameN-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCc1ccc(OC)cc1OC1CCCC1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-19-11-5-8-18(21)20-13-14-9-10-16(22-2)12-17(14)23-15-6-3-4-7-15;/h9-10,12,15,19H,3-8,11,13H2,1-2H3,(H,20,21);1H
InChIKeyQCSYGFDKHCXZPW-UHFFFAOYSA-N
XLogP3.05
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide
CID 61252269
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide
CID 146107018
1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119334428
4-[(2-cyclopentyloxy-4-methoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 119142062
2-(cyclopentylamino)-N-[(2,4-dimethoxyphenyl)methyl]acetamide
CID 63362881
3-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 119952019
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119334414
(2S)-2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119802569
(E)-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(dimethylamino)but-2-enamide
CID 146101068
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939815
N-[2-[[N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111989597
2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylpropanamide
CID 120593283

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride (CID 119802521) is N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)NCc1ccc(OC)cc1OC1CCCC1.Cl.
What is the InChIKey of N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is QCSYGFDKHCXZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-19-11-5-8-18(21)20-13-14-9-10-16(22-2)12-17(14)23-15-6-3-4-7-15;/h9-10,12,15,19H,3-8,11,13H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride?
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119802521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).