2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide

C14H20N2O3 — CID 68690999

IUPAC2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NCCc1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O3/c1-9(2)13(15)14(17)16-6-5-10-3-4-11-12(7-10)19-8-18-11/h3-4,7,9,13H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyOWAUJGYLARFKOO-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.06
Rot. Bonds5

About 2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide

2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide (PubChem CID 68690999) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide
PubChem CID68690999
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NCCc1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O3/c1-9(2)13(15)14(17)16-6-5-10-3-4-11-12(7-10)19-8-18-11/h3-4,7,9,13H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyOWAUJGYLARFKOO-UHFFFAOYSA-N
XLogP1.06
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methylpropanediamide
CID 173077983
3-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methylpropanamide
CID 115153791
3-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]butanamide
CID 115154322
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(carbamoylamino)-3-methylbutanamide
CID 46520896
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(carbamoylamino)propanamide
CID 18159601
(2R)-2-amino-N-[3-(1,3-benzodioxol-5-yl)propyl]propanamide
CID 14620802
(2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 78973204
N-[1-[2-(1,3-benzodioxol-5-yl)ethylamino]-1-oxopropan-2-yl]benzamide
CID 18159582
methyl 2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoacetate
CID 14564794
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167361
2-(carbamoylamino)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylbutanamide
CID 42908832
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(ethylamino)acetamide
CID 115158021

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide (CID 68690999) is 2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide is CC(C)C(N)C(=O)NCCc1ccc2c(c1)OCO2.
What is the InChIKey of 2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide?
The InChIKey is OWAUJGYLARFKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)13(15)14(17)16-6-5-10-3-4-11-12(7-10)19-8-18-11/h3-4,7,9,13H,5-6,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide?
2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide has a molecular weight of 264.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 68690999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).