N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride

C16H23ClN2O4 — CID 119699856

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
SMILESCC(NC(=O)CNCC1CCCO1)c1ccc2c(c1)OCO2.Cl
InChIInChI=1S/C16H22N2O4.ClH/c1-11(12-4-5-14-15(7-12)22-10-21-14)18-16(19)9-17-8-13-3-2-6-20-13;/h4-5,7,11,13,17H,2-3,6,8-10H2,1H3,(H,18,19);1H
InChIKeyAYPRLCZMAQIRFI-UHFFFAOYSA-N
MW342.82 g/mol
LogP1.78
Rot. Bonds6

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride (PubChem CID 119699856) has the molecular formula C16H23ClN2O4 and a molecular weight of 342.82 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
PubChem CID119699856
Molecular FormulaC16H23ClN2O4
Molecular Weight342.82 g/mol
Exact Mass342.13
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
SMILESCC(NC(=O)CNCC1CCCO1)c1ccc2c(c1)OCO2.Cl
InChIInChI=1S/C16H22N2O4.ClH/c1-11(12-4-5-14-15(7-12)22-10-21-14)18-16(19)9-17-8-13-3-2-6-20-13;/h4-5,7,11,13,17H,2-3,6,8-10H2,1H3,(H,18,19);1H
InChIKeyAYPRLCZMAQIRFI-UHFFFAOYSA-N
XLogP1.78
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119685898
1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 29024878
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119682971
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
2-(oxolan-2-ylmethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 119686315
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide
CID 60648461
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78908462
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119699865
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide
CID 43567784
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chloroacetamide
CID 3554698
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(oxolan-2-ylmethylamino)acetamide
CID 5060533

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride (CID 119699856) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride is CC(NC(=O)CNCC1CCCO1)c1ccc2c(c1)OCO2.Cl.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The InChIKey is AYPRLCZMAQIRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4.ClH/c1-11(12-4-5-14-15(7-12)22-10-21-14)18-16(19)9-17-8-13-3-2-6-20-13;/h4-5,7,11,13,17H,2-3,6,8-10H2,1H3,(H,18,19);1H.
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride has a molecular weight of 342.82 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119699856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).