2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride

C14H21ClN2O2 — CID 119295495

IUPAC2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride
SMILESCl.NC(Cc1ccccc1)C(=O)N1CCCOCC1
InChIInChI=1S/C14H20N2O2.ClH/c15-13(11-12-5-2-1-3-6-12)14(17)16-7-4-9-18-10-8-16;/h1-3,5-6,13H,4,7-11,15H2;1H
InChIKeyJEBSYYBQGUTOAA-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.23
Rot. Bonds3

About 2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride

2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride (PubChem CID 119295495) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride
PubChem CID119295495
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride
SMILESCl.NC(Cc1ccccc1)C(=O)N1CCCOCC1
InChIInChI=1S/C14H20N2O2.ClH/c15-13(11-12-5-2-1-3-6-12)14(17)16-7-4-9-18-10-8-16;/h1-3,5-6,13H,4,7-11,15H2;1H
InChIKeyJEBSYYBQGUTOAA-UHFFFAOYSA-N
XLogP1.23
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-phenyl-1-(4-phenyl-1,4-diazepan-1-yl)propan-1-one;dihydrochloride
CID 119860769
2-amino-1-(2-methyl-1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119316813
(2R)-2-amino-1-[(2R)-2-methyl-1,4-oxazepan-4-yl]-3-phenylpropan-1-one
CID 94907209
(2R)-2-amino-1-(1,4-diazepan-1-yl)-3-phenylpropan-1-one
CID 78985520
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119294272
(2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 54322087
(2S)-2-amino-1-(4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88677274
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium
CID 40562536
(2S)-3-morpholin-4-yl-1-phenylbut-3-en-2-amine
CID 142041187
3-amino-1-(1,4-oxazepan-4-yl)-2-phenylpropan-1-one
CID 55139401
4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride
CID 119277565

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride (CID 119295495) is 2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride is Cl.NC(Cc1ccccc1)C(=O)N1CCCOCC1.
What is the InChIKey of 2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride?
The InChIKey is JEBSYYBQGUTOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c15-13(11-12-5-2-1-3-6-12)14(17)16-7-4-9-18-10-8-16;/h1-3,5-6,13H,4,7-11,15H2;1H.
What are the key properties of 2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride?
2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 119295495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).