2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride

C16H25ClN2O2 — CID 120588866

IUPAC2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
SMILESCC(N)(C(=O)NCCC1CCOCC1)c1ccccc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-16(17,14-5-3-2-4-6-14)15(19)18-10-7-13-8-11-20-12-9-13;/h2-6,13H,7-12,17H2,1H3,(H,18,19);1H
InChIKeyFZDVHIPMVOJZIV-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.22
Rot. Bonds5

About 2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride

2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride (PubChem CID 120588866) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
PubChem CID120588866
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
SMILESCC(N)(C(=O)NCCC1CCOCC1)c1ccccc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-16(17,14-5-3-2-4-6-14)15(19)18-10-7-13-8-11-20-12-9-13;/h2-6,13H,7-12,17H2,1H3,(H,18,19);1H
InChIKeyFZDVHIPMVOJZIV-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-cyclopentylethyl)-2-phenylpropanamide;hydrochloride
CID 120588835
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 120591033
2-amino-2-phenyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propanamide
CID 120597411
2-amino-N-(4-morpholin-4-ylbutyl)-2-phenylpropanamide;dihydrochloride
CID 120595503
2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119290193
2-amino-N-[1-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120593233
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-phenylpropanamide
CID 79401075
N-[3-[(2-amino-2-phenylpropanoyl)amino]propyl]cyclobutanecarboxamide;hydrochloride
CID 120593685
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylpropanamide;dihydrochloride
CID 120595447
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-phenylpropanamide
CID 63316114
(2S)-2-amino-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide
CID 119290183
N-[3-[(2-amino-2-phenylpropanoyl)amino]propyl]cyclobutanecarboxamide
CID 120593686

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride (CID 120588866) is 2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride is CC(N)(C(=O)NCCC1CCOCC1)c1ccccc1.Cl.
What is the InChIKey of 2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride?
The InChIKey is FZDVHIPMVOJZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-16(17,14-5-3-2-4-6-14)15(19)18-10-7-13-8-11-20-12-9-13;/h2-6,13H,7-12,17H2,1H3,(H,18,19);1H.
What are the key properties of 2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride?
2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120588866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).