N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride

C15H25ClN2O2 — CID 120651118

IUPACN-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)CCCOc1ccccc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-3-16-13(2)12-17-15(18)10-7-11-19-14-8-5-4-6-9-14;/h4-6,8-9,13,16H,3,7,10-12H2,1-2H3,(H,17,18);1H/t13-;/m1./s1
InChIKeyMMKXGGRKYGCYJG-BTQNPOSSSA-N
MW300.83 g/mol
LogP2.38
Rot. Bonds9

About N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride (PubChem CID 120651118) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride
PubChem CID120651118
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)CCCOc1ccccc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-3-16-13(2)12-17-15(18)10-7-11-19-14-8-5-4-6-9-14;/h4-6,8-9,13,16H,3,7,10-12H2,1-2H3,(H,17,18);1H/t13-;/m1./s1
InChIKeyMMKXGGRKYGCYJG-BTQNPOSSSA-N
XLogP2.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.38
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-(methylamino)propyl]-4-phenoxybutanamide
CID 120827212
4-(4-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120653275
4-(3-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120654445
N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide
CID 83030039
4-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120654441
2-methyl-3-(4-phenoxybutanoylamino)propanoic acid
CID 62676928
N-(2-aminopropyl)-4-phenoxybutanamide
CID 82354182
N-[(2R)-2-(ethylamino)propyl]-3-(4-propan-2-ylphenoxy)propanamide
CID 120654775
2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid
CID 106107518
4-(2,3-dichlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120653975
N-[(2R)-2-(ethylamino)propyl]-2-(4-phenylmethoxyphenoxy)acetamide;hydrochloride
CID 120654572
N-(2,3-dihydroxypropyl)-4-phenoxybutanamide
CID 66176649

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride (CID 120651118) is N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride is CCN[C@H](C)CNC(=O)CCCOc1ccccc1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride?
The InChIKey is MMKXGGRKYGCYJG-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-3-16-13(2)12-17-15(18)10-7-11-19-14-8-5-4-6-9-14;/h4-6,8-9,13,16H,3,7,10-12H2,1-2H3,(H,17,18);1H/t13-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride is sourced from PubChem (CID 120651118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).