2-amino-N-[1-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride

C16H25ClN2O2 — CID 120593233

IUPAC2-amino-N-[1-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
SMILESCC(NC(=O)C(C)(N)c1ccccc1)C1CCOCC1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(13-8-10-20-11-9-13)18-15(19)16(2,17)14-6-4-3-5-7-14;/h3-7,12-13H,8-11,17H2,1-2H3,(H,18,19);1H
InChIKeyGJEMSOUHBPAEEF-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.21
Rot. Bonds4

About 2-amino-N-[1-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride

2-amino-N-[1-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride (PubChem CID 120593233) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-amino-N-[1-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
PubChem CID120593233
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name2-amino-N-[1-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
SMILESCC(NC(=O)C(C)(N)c1ccccc1)C1CCOCC1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(13-8-10-20-11-9-13)18-15(19)16(2,17)14-6-4-3-5-7-14;/h3-7,12-13H,8-11,17H2,1-2H3,(H,18,19);1H
InChIKeyGJEMSOUHBPAEEF-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 55078586
2-amino-N-(1-cyclopropylpropan-2-yl)-2-phenylpropanamide;hydrochloride
CID 120592271
2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120588866
2-[(2-amino-2-phenylpropanoyl)amino]-2-cyclopropylacetic acid
CID 62696206
2-amino-N-(3-methylbutan-2-yl)-2-phenylpropanamide;hydrochloride
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(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid
CID 78991003
2-amino-N-(4-methyl-4-phenylpentan-2-yl)-2-(oxan-4-yl)acetamide
CID 120790392
phenyl N-[1-(oxan-4-yl)ethyl]carbamate
CID 103771775
2-amino-N-(1-amino-1-oxopropan-2-yl)-2-phenylpropanamide
CID 62488756
2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide
CID 120587567
3-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]-3-sulfanylidenepropanamide
CID 114115167
4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide
CID 114285687

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride (CID 120593233) is 2-amino-N-[1-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride is CC(NC(=O)C(C)(N)c1ccccc1)C1CCOCC1.Cl.
What is the InChIKey of 2-amino-N-[1-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride?
The InChIKey is GJEMSOUHBPAEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-12(13-8-10-20-11-9-13)18-15(19)16(2,17)14-6-4-3-5-7-14;/h3-7,12-13H,8-11,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 2-amino-N-[1-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride?
2-amino-N-[1-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120593233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).