4-(1,3-benzodioxol-5-yloxy)-2-(propan-2-ylamino)butanamide

C14H20N2O4 — CID 63039494

IUPAC4-(1,3-benzodioxol-5-yloxy)-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(CCOc1ccc2c(c1)OCO2)C(N)=O
InChIInChI=1S/C14H20N2O4/c1-9(2)16-11(14(15)17)5-6-18-10-3-4-12-13(7-10)20-8-19-12/h3-4,7,9,11,16H,5-6,8H2,1-2H3,(H2,15,17)
InChIKeyNHMFRMKGYWBOOP-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.04
Rot. Bonds7

About 4-(1,3-benzodioxol-5-yloxy)-2-(propan-2-ylamino)butanamide

4-(1,3-benzodioxol-5-yloxy)-2-(propan-2-ylamino)butanamide (PubChem CID 63039494) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yloxy)-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yloxy)-2-(propan-2-ylamino)butanamide
PubChem CID63039494
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-(1,3-benzodioxol-5-yloxy)-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(CCOc1ccc2c(c1)OCO2)C(N)=O
InChIInChI=1S/C14H20N2O4/c1-9(2)16-11(14(15)17)5-6-18-10-3-4-12-13(7-10)20-8-19-12/h3-4,7,9,11,16H,5-6,8H2,1-2H3,(H2,15,17)
InChIKeyNHMFRMKGYWBOOP-UHFFFAOYSA-N
XLogP1.04
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]propan-2-amine
CID 14809521
1-(1,3-benzodioxol-5-yloxy)propan-2-amine
CID 21474843
2-(1,3-benzodioxol-5-yloxy)butanamide
CID 62901253
5-(1,3-benzodioxol-5-yloxy)-N-propan-2-ylpentan-1-amine
CID 62452164
ethyl N-[2-(1,3-benzodioxol-5-yloxy)ethyl]carbamate
CID 113101754
butyl 2-(1,3-benzodioxol-5-yloxy)acetate
CID 54941607
methyl 2-(1,3-benzodioxol-5-yloxy)propanoate
CID 4507465
(2S)-1-(1,3-benzodioxol-5-yloxy)-3-methylbutan-2-amine
CID 82080454
(2S)-2-amino-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-phenylpropanamide;hydrochloride
CID 119296028
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-[2-(dimethylamino)propyl]urea
CID 154773996
1,3-benzodioxol-5-yl 3-(1,3-benzodioxol-5-yloxy)propanoate
CID 155681715
5-(2-methylpropoxy)-1,3-benzodioxole
CID 59144833

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yloxy)-2-(propan-2-ylamino)butanamide?
The IUPAC name of 4-(1,3-benzodioxol-5-yloxy)-2-(propan-2-ylamino)butanamide (CID 63039494) is 4-(1,3-benzodioxol-5-yloxy)-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yloxy)-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-(1,3-benzodioxol-5-yloxy)-2-(propan-2-ylamino)butanamide is CC(C)NC(CCOc1ccc2c(c1)OCO2)C(N)=O.
What is the InChIKey of 4-(1,3-benzodioxol-5-yloxy)-2-(propan-2-ylamino)butanamide?
The InChIKey is NHMFRMKGYWBOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(2)16-11(14(15)17)5-6-18-10-3-4-12-13(7-10)20-8-19-12/h3-4,7,9,11,16H,5-6,8H2,1-2H3,(H2,15,17).
What are the key properties of 4-(1,3-benzodioxol-5-yloxy)-2-(propan-2-ylamino)butanamide?
4-(1,3-benzodioxol-5-yloxy)-2-(propan-2-ylamino)butanamide has a molecular weight of 280.32 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yloxy)-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 63039494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).