2-amino-N-(1,3-benzodioxol-4-ylmethyl)hexanamide

C14H20N2O3 — CID 61212479

IUPAC2-amino-N-(1,3-benzodioxol-4-ylmethyl)hexanamide
SMILESCCCCC(N)C(=O)NCc1cccc2c1OCO2
InChIInChI=1S/C14H20N2O3/c1-2-3-6-11(15)14(17)16-8-10-5-4-7-12-13(10)19-9-18-12/h4-5,7,11H,2-3,6,8-9,15H2,1H3,(H,16,17)
InChIKeyAIFZIPOHJIVFQZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.55
Rot. Bonds6

About 2-amino-N-(1,3-benzodioxol-4-ylmethyl)hexanamide

2-amino-N-(1,3-benzodioxol-4-ylmethyl)hexanamide (PubChem CID 61212479) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzodioxol-4-ylmethyl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(1,3-benzodioxol-4-ylmethyl)hexanamide
PubChem CID61212479
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-amino-N-(1,3-benzodioxol-4-ylmethyl)hexanamide
SMILESCCCCC(N)C(=O)NCc1cccc2c1OCO2
InChIInChI=1S/C14H20N2O3/c1-2-3-6-11(15)14(17)16-8-10-5-4-7-12-13(10)19-9-18-12/h4-5,7,11H,2-3,6,8-9,15H2,1H3,(H,16,17)
InChIKeyAIFZIPOHJIVFQZ-UHFFFAOYSA-N
XLogP1.55
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

(2R)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)pentanamide
CID 103795712
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)butanamide
CID 79023389
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)-4-methylsulfanylbutanamide
CID 61211160
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)-4-methylpentanamide
CID 61211349
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)propanamide
CID 61211159
2-amino-N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethylbutanamide
CID 76895703
2-amino-N-[(2-ethylphenyl)methyl]hexanamide
CID 64682652
propyl N-(1,3-benzodioxol-4-ylmethyl)carbamate
CID 112738825
N-(1,3-benzodioxol-4-ylmethyl)-2-(methylamino)propanamide
CID 62638983
2-amino-N-[(2-bromophenyl)methyl]hexanamide
CID 61402483
1-(1,3-benzodioxol-4-ylmethyl)-3-propylthiourea
CID 75416671
N-(1,3-benzodioxol-4-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 61211918

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzodioxol-4-ylmethyl)hexanamide?
The IUPAC name of 2-amino-N-(1,3-benzodioxol-4-ylmethyl)hexanamide (CID 61212479) is 2-amino-N-(1,3-benzodioxol-4-ylmethyl)hexanamide.
What is the SMILES notation for 2-amino-N-(1,3-benzodioxol-4-ylmethyl)hexanamide?
The canonical SMILES for 2-amino-N-(1,3-benzodioxol-4-ylmethyl)hexanamide is CCCCC(N)C(=O)NCc1cccc2c1OCO2.
What is the InChIKey of 2-amino-N-(1,3-benzodioxol-4-ylmethyl)hexanamide?
The InChIKey is AIFZIPOHJIVFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-3-6-11(15)14(17)16-8-10-5-4-7-12-13(10)19-9-18-12/h4-5,7,11H,2-3,6,8-9,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(1,3-benzodioxol-4-ylmethyl)hexanamide?
2-amino-N-(1,3-benzodioxol-4-ylmethyl)hexanamide has a molecular weight of 264.32 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzodioxol-4-ylmethyl)hexanamide is sourced from PubChem (CID 61212479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).