N-(3-amino-2-methylpropyl)-2-(oxolan-2-ylmethoxy)propanamide;hydrochloride

C12H25ClN2O3 — CID 119996178

IUPACN-(3-amino-2-methylpropyl)-2-(oxolan-2-ylmethoxy)propanamide;hydrochloride
SMILESCC(CN)CNC(=O)C(C)OCC1CCCO1.Cl
InChIInChI=1S/C12H24N2O3.ClH/c1-9(6-13)7-14-12(15)10(2)17-8-11-4-3-5-16-11;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H
InChIKeyWHGSTWQYEFNSHT-UHFFFAOYSA-N
MW280.80 g/mol
LogP0.70
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-2-(oxolan-2-ylmethoxy)propanamide;hydrochloride

N-(3-amino-2-methylpropyl)-2-(oxolan-2-ylmethoxy)propanamide;hydrochloride (PubChem CID 119996178) has the molecular formula C12H25ClN2O3 and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-(oxolan-2-ylmethoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-(oxolan-2-ylmethoxy)propanamide;hydrochloride
PubChem CID119996178
Molecular FormulaC12H25ClN2O3
Molecular Weight280.80 g/mol
Exact Mass280.16
IUPAC NameN-(3-amino-2-methylpropyl)-2-(oxolan-2-ylmethoxy)propanamide;hydrochloride
SMILESCC(CN)CNC(=O)C(C)OCC1CCCO1.Cl
InChIInChI=1S/C12H24N2O3.ClH/c1-9(6-13)7-14-12(15)10(2)17-8-11-4-3-5-16-11;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H
InChIKeyWHGSTWQYEFNSHT-UHFFFAOYSA-N
XLogP0.70
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(oxan-2-ylmethoxy)propanamide;hydrochloride
CID 119525083
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(oxolan-2-ylmethoxy)propanamide
CID 119574453
N-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 119548783
2-(oxolan-2-ylmethoxy)-N-(piperidin-3-ylmethyl)propanamide
CID 119462659
2-(oxolan-2-ylmethoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557645
2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid
CID 119224066
3-[2-(oxan-2-ylmethoxy)propanoylamino]-2-phenylpropanoic acid
CID 119254705
6-[2-(oxan-2-ylmethoxy)propanoylamino]hexanoic acid
CID 119219939
N-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide
CID 126834949
N-[2-(aminomethyl)cyclopentyl]-2-(oxan-2-ylmethoxy)propanamide
CID 119605197
2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid
CID 125152183
N-(4-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 43097898

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-(oxolan-2-ylmethoxy)propanamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-(oxolan-2-ylmethoxy)propanamide;hydrochloride (CID 119996178) is N-(3-amino-2-methylpropyl)-2-(oxolan-2-ylmethoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-(oxolan-2-ylmethoxy)propanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-(oxolan-2-ylmethoxy)propanamide;hydrochloride is CC(CN)CNC(=O)C(C)OCC1CCCO1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-(oxolan-2-ylmethoxy)propanamide;hydrochloride?
The InChIKey is WHGSTWQYEFNSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3.ClH/c1-9(6-13)7-14-12(15)10(2)17-8-11-4-3-5-16-11;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-2-(oxolan-2-ylmethoxy)propanamide;hydrochloride?
N-(3-amino-2-methylpropyl)-2-(oxolan-2-ylmethoxy)propanamide;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-(oxolan-2-ylmethoxy)propanamide;hydrochloride is sourced from PubChem (CID 119996178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).