N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide

C12H15NO4 — CID 2810954

IUPACN-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide
SMILESO=C(CCCO)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C12H15NO4/c14-5-1-2-12(15)13-7-9-3-4-10-11(6-9)17-8-16-10/h3-4,6,14H,1-2,5,7-8H2,(H,13,15)
InChIKeyMEBNKXAJSFOXFG-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.80
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide

N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide (PubChem CID 2810954) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide
PubChem CID2810954
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide
SMILESO=C(CCCO)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C12H15NO4/c14-5-1-2-12(15)13-7-9-3-4-10-11(6-9)17-8-16-10/h3-4,6,14H,1-2,5,7-8H2,(H,13,15)
InChIKeyMEBNKXAJSFOXFG-UHFFFAOYSA-N
XLogP0.80
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide
CID 42764530
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
N-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide
CID 3238528
N-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dichlorophenyl)butanamide
CID 55833674
N-(1,3-benzodioxol-5-ylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopentanamide
CID 110344538
3-(1,3-benzodioxol-5-yl)-N-(3-hydroxypropyl)propanamide
CID 43417651
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)-5-oxopentanamide
CID 110298086
N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]benzamide
CID 39753224
N-(1,3-benzodioxol-5-ylmethyl)-5-thiophen-2-ylpentanamide
CID 110297708
N-(1,3-benzodioxol-5-ylmethyl)-3-(dipropylamino)propanamide
CID 109022613
N-(1,3-benzodioxol-5-ylmethyl)-3-(propylamino)propanamide
CID 109011504
N-(1,3-benzodioxol-5-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 9036242

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide (CID 2810954) is N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide is O=C(CCCO)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide?
The InChIKey is MEBNKXAJSFOXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-5-1-2-12(15)13-7-9-3-4-10-11(6-9)17-8-16-10/h3-4,6,14H,1-2,5,7-8H2,(H,13,15).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide?
N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide has a molecular weight of 237.25 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide is sourced from PubChem (CID 2810954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).