2-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]-N-cyclopropylacetamide

C14H18N2O4 — CID 60908969

IUPAC2-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]-N-cyclopropylacetamide
SMILESO=C(CNCC(O)c1ccc2c(c1)OCO2)NC1CC1
InChIInChI=1S/C14H18N2O4/c17-11(6-15-7-14(18)16-10-2-3-10)9-1-4-12-13(5-9)20-8-19-12/h1,4-5,10-11,15,17H,2-3,6-8H2,(H,16,18)
InChIKeyNBRVLNAXLXGOCO-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.32
Rot. Bonds6

About 2-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]-N-cyclopropylacetamide

2-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]-N-cyclopropylacetamide (PubChem CID 60908969) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]-N-cyclopropylacetamide
PubChem CID60908969
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]-N-cyclopropylacetamide
SMILESO=C(CNCC(O)c1ccc2c(c1)OCO2)NC1CC1
InChIInChI=1S/C14H18N2O4/c17-11(6-15-7-14(18)16-10-2-3-10)9-1-4-12-13(5-9)20-8-19-12/h1,4-5,10-11,15,17H,2-3,6-8H2,(H,16,18)
InChIKeyNBRVLNAXLXGOCO-UHFFFAOYSA-N
XLogP0.32
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901783
1-(1,3-benzodioxol-5-yl)-2-(cyclobutylmethylamino)ethanol
CID 60901212
1-(1,3-benzodioxol-5-yl)-2-(oxan-4-ylmethylamino)ethanol
CID 63727696
1-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)ethanol
CID 60896946
1-(1,3-benzodioxol-5-yl)-2-[(1-methylpyrrolidin-3-yl)methylamino]ethanol
CID 60908868
N-cyclopropyl-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide
CID 106435052
2-[[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 64912849
1-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylbutylamino)ethanol
CID 64597062
3-[2-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]ethyl]-1,1-dimethylurea
CID 83113305
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N'-cyclopentyloxamide
CID 71804364
1-[1-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 51119941
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclopropylurea
CID 47139460

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]-N-cyclopropylacetamide (CID 60908969) is 2-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]-N-cyclopropylacetamide is O=C(CNCC(O)c1ccc2c(c1)OCO2)NC1CC1.
What is the InChIKey of 2-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]-N-cyclopropylacetamide?
The InChIKey is NBRVLNAXLXGOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-11(6-15-7-14(18)16-10-2-3-10)9-1-4-12-13(5-9)20-8-19-12/h1,4-5,10-11,15,17H,2-3,6-8H2,(H,16,18).
What are the key properties of 2-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]-N-cyclopropylacetamide?
2-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]-N-cyclopropylacetamide has a molecular weight of 278.31 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]-N-cyclopropylacetamide is sourced from PubChem (CID 60908969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).