N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride

C11H23ClN2O2 — CID 71944060

IUPACN-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
SMILESCCC(C)NC(=O)CNCC1CCCO1.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-3-9(2)13-11(14)8-12-7-10-5-4-6-15-10;/h9-10,12H,3-8H2,1-2H3,(H,13,14);1H
InChIKeyJDRKTUJQCZQOLF-UHFFFAOYSA-N
MW250.77 g/mol
LogP1.09
Rot. Bonds6

About N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride

N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride (PubChem CID 71944060) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
PubChem CID71944060
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC NameN-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
SMILESCCC(C)NC(=O)CNCC1CCCO1.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-3-9(2)13-11(14)8-12-7-10-5-4-6-15-10;/h9-10,12H,3-8H2,1-2H3,(H,13,14);1H
InChIKeyJDRKTUJQCZQOLF-UHFFFAOYSA-N
XLogP1.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 28585328
N-[1-(4-fluorophenyl)propan-2-yl]-2-(oxolan-2-ylmethylamino)acetamide
CID 86780191
N'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide
CID 3149550
N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119685898
4-N-butan-2-yl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109145407
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119682971
N-(3-methylbutyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 60671403
N-methyl-2-(oxolan-2-ylmethylamino)-N-propan-2-ylacetamide
CID 43180164
1-(azepan-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 7437129
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119683065
N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
CID 99715210

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride (CID 71944060) is N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride is CCC(C)NC(=O)CNCC1CCCO1.Cl.
What is the InChIKey of N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The InChIKey is JDRKTUJQCZQOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.ClH/c1-3-9(2)13-11(14)8-12-7-10-5-4-6-15-10;/h9-10,12H,3-8H2,1-2H3,(H,13,14);1H.
What are the key properties of N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 71944060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).