2-amino-N-[1-(3-methoxyphenyl)propan-2-yl]-2-(oxan-4-yl)acetamide;hydrochloride

C17H27ClN2O3 — CID 120793315

IUPAC2-amino-N-[1-(3-methoxyphenyl)propan-2-yl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCOc1cccc(CC(C)NC(=O)C(N)C2CCOCC2)c1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-12(10-13-4-3-5-15(11-13)21-2)19-17(20)16(18)14-6-8-22-9-7-14;/h3-5,11-12,14,16H,6-10,18H2,1-2H3,(H,19,20);1H
InChIKeyKLDNBEUBAXCEHL-UHFFFAOYSA-N
MW342.87 g/mol
LogP1.92
Rot. Bonds6

About 2-amino-N-[1-(3-methoxyphenyl)propan-2-yl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[1-(3-methoxyphenyl)propan-2-yl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120793315) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-amino-N-[1-(3-methoxyphenyl)propan-2-yl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(3-methoxyphenyl)propan-2-yl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120793315
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name2-amino-N-[1-(3-methoxyphenyl)propan-2-yl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCOc1cccc(CC(C)NC(=O)C(N)C2CCOCC2)c1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-12(10-13-4-3-5-15(11-13)21-2)19-17(20)16(18)14-6-8-22-9-7-14;/h3-5,11-12,14,16H,6-10,18H2,1-2H3,(H,19,20);1H
InChIKeyKLDNBEUBAXCEHL-UHFFFAOYSA-N
XLogP1.92
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789949
2-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-2-(oxan-4-yl)acetamide
CID 120791880
methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate;hydrochloride
CID 120793431
2-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120790303
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120789950
(2R)-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]-2-(oxan-4-yl)propanamide
CID 97244143
methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate
CID 120793432
2-amino-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792751
2-amino-N-[2-(4-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782919
2-amino-2-(oxan-4-yl)-N-(1-phenylpentan-2-yl)acetamide;hydrochloride
CID 120791991
2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782987

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-methoxyphenyl)propan-2-yl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(3-methoxyphenyl)propan-2-yl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120793315) is 2-amino-N-[1-(3-methoxyphenyl)propan-2-yl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(3-methoxyphenyl)propan-2-yl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(3-methoxyphenyl)propan-2-yl]-2-(oxan-4-yl)acetamide;hydrochloride is COc1cccc(CC(C)NC(=O)C(N)C2CCOCC2)c1.Cl.
What is the InChIKey of 2-amino-N-[1-(3-methoxyphenyl)propan-2-yl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is KLDNBEUBAXCEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-12(10-13-4-3-5-15(11-13)21-2)19-17(20)16(18)14-6-8-22-9-7-14;/h3-5,11-12,14,16H,6-10,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-amino-N-[1-(3-methoxyphenyl)propan-2-yl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[1-(3-methoxyphenyl)propan-2-yl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-methoxyphenyl)propan-2-yl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120793315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).