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

C13H17NO4 — CID 79209486

IUPACN-(1,3-benzodioxol-4-ylmethyl)-5-hydroxypentanamide
SMILESO=C(CCCCO)NCc1cccc2c1OCO2
InChIInChI=1S/C13H17NO4/c15-7-2-1-6-12(16)14-8-10-4-3-5-11-13(10)18-9-17-11/h3-5,15H,1-2,6-9H2,(H,14,16)
InChIKeyJJRCVLSKAXYHLE-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.19
Rot. Bonds6

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

N-(1,3-benzodioxol-4-ylmethyl)-5-hydroxypentanamide (PubChem CID 79209486) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-5-hydroxypentanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-5-hydroxypentanamide
PubChem CID79209486
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-5-hydroxypentanamide
SMILESO=C(CCCCO)NCc1cccc2c1OCO2
InChIInChI=1S/C13H17NO4/c15-7-2-1-6-12(16)14-8-10-4-3-5-11-13(10)18-9-17-11/h3-5,15H,1-2,6-9H2,(H,14,16)
InChIKeyJJRCVLSKAXYHLE-UHFFFAOYSA-N
XLogP1.19
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)-4-hydroxybutanamide
CID 79192354
6-(1,3-benzodioxol-4-ylmethylamino)-6-oxohexanoic acid
CID 61211522
N-(1,3-benzodioxol-4-ylmethyl)-5-chloropentanamide
CID 61210400
2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride
CID 119298911
2-hydroxyethyl N-(1,3-benzodioxol-4-ylmethyl)carbamate
CID 79348889
N-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-4-ylpropanamide
CID 62211455
N-(1,3-benzodioxol-4-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 61211918
2-[2-(1,3-benzodioxol-4-ylmethylamino)-2-oxoethoxy]acetic acid
CID 61327324
N-(1,3-benzodioxol-4-ylmethyl)-2,2-dimethylpropanamide
CID 61149994
N-(1,3-benzodioxol-4-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605263
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)propanamide
CID 61211159
N-(1,3-benzodioxol-4-ylmethyl)-2-(butan-2-ylamino)acetamide
CID 61212289

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-5-hydroxypentanamide?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-5-hydroxypentanamide (CID 79209486) is N-(1,3-benzodioxol-4-ylmethyl)-5-hydroxypentanamide.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-5-hydroxypentanamide?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-5-hydroxypentanamide is O=C(CCCCO)NCc1cccc2c1OCO2.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-5-hydroxypentanamide?
The InChIKey is JJRCVLSKAXYHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c15-7-2-1-6-12(16)14-8-10-4-3-5-11-13(10)18-9-17-11/h3-5,15H,1-2,6-9H2,(H,14,16).
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-5-hydroxypentanamide?
N-(1,3-benzodioxol-4-ylmethyl)-5-hydroxypentanamide has a molecular weight of 251.28 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-5-hydroxypentanamide is sourced from PubChem (CID 79209486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).