6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide

C14H20N2O3 — CID 42764530

IUPAC6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide
SMILESNCCCCCC(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O3/c15-7-3-1-2-4-14(17)16-9-11-5-6-12-13(8-11)19-10-18-12/h5-6,8H,1-4,7,9-10,15H2,(H,16,17)
InChIKeySTPAMCXIDGKSFY-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.55
Rot. Bonds7

About 6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide

6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide (PubChem CID 42764530) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide
PubChem CID42764530
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide
SMILESNCCCCCC(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O3/c15-7-3-1-2-4-14(17)16-9-11-5-6-12-13(8-11)19-10-18-12/h5-6,8H,1-4,7,9-10,15H2,(H,16,17)
InChIKeySTPAMCXIDGKSFY-UHFFFAOYSA-N
XLogP1.55
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.55
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

3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide
CID 2810954
2-(7-aminoheptanoylamino)-N-(1,3-benzodioxol-5-ylmethyl)benzamide
CID 119680351
N-(1,3-benzodioxol-5-ylmethyl)-5-thiophen-2-ylpentanamide
CID 110297708
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-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)propanamide;hydrochloride
CID 119307654
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-[(3R)-dithiolan-3-yl]pentanamide
CID 34673752
N-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299793
N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 51192543

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide?
The IUPAC name of 6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide (CID 42764530) is 6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide.
What is the SMILES notation for 6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide?
The canonical SMILES for 6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide is NCCCCCC(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of 6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide?
The InChIKey is STPAMCXIDGKSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-7-3-1-2-4-14(17)16-9-11-5-6-12-13(8-11)19-10-18-12/h5-6,8H,1-4,7,9-10,15H2,(H,16,17).
What are the key properties of 6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide?
6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide has a molecular weight of 264.32 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide is sourced from PubChem (CID 42764530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).