2-amino-2-(oxan-4-yl)-N-(4-phenylbutan-2-yl)acetamide;hydrochloride

C17H27ClN2O2 — CID 120782923

IUPAC2-amino-2-(oxan-4-yl)-N-(4-phenylbutan-2-yl)acetamide;hydrochloride
SMILESCC(CCc1ccccc1)NC(=O)C(N)C1CCOCC1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-13(7-8-14-5-3-2-4-6-14)19-17(20)16(18)15-9-11-21-12-10-15;/h2-6,13,15-16H,7-12,18H2,1H3,(H,19,20);1H
InChIKeyRTSBNKPXSWAOBE-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.30
Rot. Bonds6

About 2-amino-2-(oxan-4-yl)-N-(4-phenylbutan-2-yl)acetamide;hydrochloride

2-amino-2-(oxan-4-yl)-N-(4-phenylbutan-2-yl)acetamide;hydrochloride (PubChem CID 120782923) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-(4-phenylbutan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-(4-phenylbutan-2-yl)acetamide;hydrochloride
PubChem CID120782923
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name2-amino-2-(oxan-4-yl)-N-(4-phenylbutan-2-yl)acetamide;hydrochloride
SMILESCC(CCc1ccccc1)NC(=O)C(N)C1CCOCC1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-13(7-8-14-5-3-2-4-6-14)19-17(20)16(18)15-9-11-21-12-10-15;/h2-6,13,15-16H,7-12,18H2,1H3,(H,19,20);1H
InChIKeyRTSBNKPXSWAOBE-UHFFFAOYSA-N
XLogP2.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(oxan-4-yl)-N-(1-phenylpentan-2-yl)acetamide;hydrochloride
CID 120791991
2-amino-2-(oxan-4-yl)-N-(1-phenylbutan-2-yl)acetamide
CID 120791380
2-amino-N-(4-methyl-4-phenylpentan-2-yl)-2-(oxan-4-yl)acetamide
CID 120790392
2-amino-N-[1-(3-methoxyphenyl)propan-2-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793315
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-(3,3-diphenylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783183
2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784075
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
2-amino-N-(1-naphthalen-1-ylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784151
2-amino-N-(4-cyclohexylbutan-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793833
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
1-(oxan-4-yl)-3-phenylpropan-1-amine
CID 63935277

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-(4-phenylbutan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-(4-phenylbutan-2-yl)acetamide;hydrochloride (CID 120782923) is 2-amino-2-(oxan-4-yl)-N-(4-phenylbutan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-(4-phenylbutan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-(4-phenylbutan-2-yl)acetamide;hydrochloride is CC(CCc1ccccc1)NC(=O)C(N)C1CCOCC1.Cl.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-(4-phenylbutan-2-yl)acetamide;hydrochloride?
The InChIKey is RTSBNKPXSWAOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-13(7-8-14-5-3-2-4-6-14)19-17(20)16(18)15-9-11-21-12-10-15;/h2-6,13,15-16H,7-12,18H2,1H3,(H,19,20);1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-(4-phenylbutan-2-yl)acetamide;hydrochloride?
2-amino-2-(oxan-4-yl)-N-(4-phenylbutan-2-yl)acetamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-(4-phenylbutan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 120782923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).