2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide

C14H20N2O3 — CID 43567784

IUPAC2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O3/c1-9(2)16-14(17)7-15-10(3)11-4-5-12-13(6-11)19-8-18-12/h4-6,9-10,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyKBYXERZRSCOYMW-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.59
Rot. Bonds5

About 2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide

2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide (PubChem CID 43567784) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide
PubChem CID43567784
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O3/c1-9(2)16-14(17)7-15-10(3)11-4-5-12-13(6-11)19-8-18-12/h4-6,9-10,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyKBYXERZRSCOYMW-UHFFFAOYSA-N
XLogP1.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethylacetamide
CID 43310888
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60853625
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chloroacetamide
CID 3554698
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9253836
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-methoxyacetamide
CID 35079410
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide
CID 60648461
N-(1,3-benzodioxol-5-yl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376473
2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol
CID 29083160
1-[1-(1,3-benzodioxol-5-yl)ethylamino]propan-2-ol
CID 43499381
2-(azocan-1-ium-1-yl)-N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]acetamide
CID 8583610
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-piperidin-1-ium-1-ylacetamide
CID 8894563
(2S)-2-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide
CID 61178173

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide (CID 43567784) is 2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC(C)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide?
The InChIKey is KBYXERZRSCOYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)16-14(17)7-15-10(3)11-4-5-12-13(6-11)19-8-18-12/h4-6,9-10,15H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide?
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide has a molecular weight of 264.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 43567784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).