2-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide

C14H20N2O3 — CID 65229122

IUPAC2-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide
SMILESCCC(CN)C(=O)NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H20N2O3/c1-2-11(8-15)14(17)16-9-10-3-4-12-13(7-10)19-6-5-18-12/h3-4,7,11H,2,5-6,8-9,15H2,1H3,(H,16,17)
InChIKeyIQERTZLFQZQBRS-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.06
Rot. Bonds5

About 2-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide

2-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide (PubChem CID 65229122) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide
PubChem CID65229122
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide
SMILESCCC(CN)C(=O)NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H20N2O3/c1-2-11(8-15)14(17)16-9-10-3-4-12-13(7-10)19-6-5-18-12/h3-4,7,11H,2,5-6,8-9,15H2,1H3,(H,16,17)
InChIKeyIQERTZLFQZQBRS-UHFFFAOYSA-N
XLogP1.06
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide
CID 47097422
2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-oxopropanoic acid
CID 115179287
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylbutanamide
CID 30476254
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(methylamino)propanamide
CID 55096613
2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]butanoic acid
CID 115249892
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxopropanamide
CID 115175589
2-(butan-2-ylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 61249980
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylpentanamide
CID 42905702
(2R)-N-[(2R)-butan-2-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)propanamide
CID 95164698
(2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 78973204
(2R)-2-(carbamoylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methylsulfanylbutanamide
CID 94334485
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 3710308

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide (CID 65229122) is 2-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide is CCC(CN)C(=O)NCc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide?
The InChIKey is IQERTZLFQZQBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-11(8-15)14(17)16-9-10-3-4-12-13(7-10)19-6-5-18-12/h3-4,7,11H,2,5-6,8-9,15H2,1H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide?
2-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide has a molecular weight of 264.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide is sourced from PubChem (CID 65229122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).