N-[2-(cyclopropylmethoxy)phenyl]-4-(methylamino)butanamide;hydrochloride

C15H23ClN2O2 — CID 119799491

IUPACN-[2-(cyclopropylmethoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccccc1OCC1CC1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-16-10-4-7-15(18)17-13-5-2-3-6-14(13)19-11-12-8-9-12;/h2-3,5-6,12,16H,4,7-11H2,1H3,(H,17,18);1H
InChIKeyGPDBEDZHHICNDT-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.84
Rot. Bonds8

About N-[2-(cyclopropylmethoxy)phenyl]-4-(methylamino)butanamide;hydrochloride

N-[2-(cyclopropylmethoxy)phenyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119799491) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)phenyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119799491
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-[2-(cyclopropylmethoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccccc1OCC1CC1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-16-10-4-7-15(18)17-13-5-2-3-6-14(13)19-11-12-8-9-12;/h2-3,5-6,12,16H,4,7-11H2,1H3,(H,17,18);1H
InChIKeyGPDBEDZHHICNDT-UHFFFAOYSA-N
XLogP2.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.84
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-[2-(cyclopropylmethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119799501
4-(methylamino)-N-[2-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119714822
4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119714850
N-[2-(3-amino-3-oxopropoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119733604
N-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide
CID 119814465
N-[2-(cyclopropylmethoxy)phenyl]-2-(dimethylamino)acetamide
CID 91661447
4-(methylamino)-N-[2-(1-phenylethoxy)phenyl]butanamide;hydrochloride
CID 119792496
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119859796
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
2-[2-[2-(cyclopropylmethoxy)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119137884

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)phenyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[2-(cyclopropylmethoxy)phenyl]-4-(methylamino)butanamide;hydrochloride (CID 119799491) is N-[2-(cyclopropylmethoxy)phenyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)phenyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[2-(cyclopropylmethoxy)phenyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)Nc1ccccc1OCC1CC1.Cl.
What is the InChIKey of N-[2-(cyclopropylmethoxy)phenyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is GPDBEDZHHICNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-16-10-4-7-15(18)17-13-5-2-3-6-14(13)19-11-12-8-9-12;/h2-3,5-6,12,16H,4,7-11H2,1H3,(H,17,18);1H.
What are the key properties of N-[2-(cyclopropylmethoxy)phenyl]-4-(methylamino)butanamide;hydrochloride?
N-[2-(cyclopropylmethoxy)phenyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)phenyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119799491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).