4-(methylamino)-N-[2-(1-phenylethoxy)phenyl]butanamide;hydrochloride

C19H25ClN2O2 — CID 119792496

IUPAC4-(methylamino)-N-[2-(1-phenylethoxy)phenyl]butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccccc1OC(C)c1ccccc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-15(16-9-4-3-5-10-16)23-18-12-7-6-11-17(18)21-19(22)13-8-14-20-2;/h3-7,9-12,15,20H,8,13-14H2,1-2H3,(H,21,22);1H
InChIKeyGQFLEDFFTBVURV-UHFFFAOYSA-N
MW348.87 g/mol
LogP4.19
Rot. Bonds8

About 4-(methylamino)-N-[2-(1-phenylethoxy)phenyl]butanamide;hydrochloride

4-(methylamino)-N-[2-(1-phenylethoxy)phenyl]butanamide;hydrochloride (PubChem CID 119792496) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-(1-phenylethoxy)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[2-(1-phenylethoxy)phenyl]butanamide;hydrochloride
PubChem CID119792496
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name4-(methylamino)-N-[2-(1-phenylethoxy)phenyl]butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccccc1OC(C)c1ccccc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-15(16-9-4-3-5-10-16)23-18-12-7-6-11-17(18)21-19(22)13-8-14-20-2;/h3-7,9-12,15,20H,8,13-14H2,1-2H3,(H,21,22);1H
InChIKeyGQFLEDFFTBVURV-UHFFFAOYSA-N
XLogP4.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 54.19
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

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CID 119714850
4-(methylamino)-N-[2-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119714822
N-[2-(cyclopropylmethoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119799491
N-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide
CID 119814465
N-[2-(3-amino-3-oxopropoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119733604
4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
CID 54924530
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride
CID 119714847
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119673012
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(1-phenylethoxy)phenyl]acetamide;hydrochloride
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N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-(1-phenylethoxy)phenyl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[2-(1-phenylethoxy)phenyl]butanamide;hydrochloride (CID 119792496) is 4-(methylamino)-N-[2-(1-phenylethoxy)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[2-(1-phenylethoxy)phenyl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[2-(1-phenylethoxy)phenyl]butanamide;hydrochloride is CNCCCC(=O)Nc1ccccc1OC(C)c1ccccc1.Cl.
What is the InChIKey of 4-(methylamino)-N-[2-(1-phenylethoxy)phenyl]butanamide;hydrochloride?
The InChIKey is GQFLEDFFTBVURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-15(16-9-4-3-5-10-16)23-18-12-7-6-11-17(18)21-19(22)13-8-14-20-2;/h3-7,9-12,15,20H,8,13-14H2,1-2H3,(H,21,22);1H.
What are the key properties of 4-(methylamino)-N-[2-(1-phenylethoxy)phenyl]butanamide;hydrochloride?
4-(methylamino)-N-[2-(1-phenylethoxy)phenyl]butanamide;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-(1-phenylethoxy)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119792496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).