3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide

C15H20N2O3 — CID 61249787

IUPAC3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide
SMILESO=C(CCNC1CC1)NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H20N2O3/c18-15(5-6-16-12-2-3-12)17-10-11-1-4-13-14(9-11)20-8-7-19-13/h1,4,9,12,16H,2-3,5-8,10H2,(H,17,18)
InChIKeyYBEWCULKJVJGIL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.22
Rot. Bonds6

About 3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide

3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide (PubChem CID 61249787) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide
PubChem CID61249787
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide
SMILESO=C(CCNC1CC1)NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H20N2O3/c18-15(5-6-16-12-2-3-12)17-10-11-1-4-13-14(9-11)20-8-7-19-13/h1,4,9,12,16H,2-3,5-8,10H2,(H,17,18)
InChIKeyYBEWCULKJVJGIL-UHFFFAOYSA-N
XLogP1.22
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpropanamide
CID 60936891
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-oxopropanoic acid
CID 62232279
N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 17392024
3-(cyclopropylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
CID 107218439
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(2-hydroxyethyl)urea
CID 71894166
3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)propanamide;hydrochloride
CID 119307654
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(2-hydroxyphenyl)propanamide
CID 31136988
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyacetamide
CID 31308040
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-hydroxyacetamide
CID 115139805
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methylcyclohexan-1-amine
CID 28615139
N-(1,3-benzodioxol-5-ylmethyl)-3-(propylamino)propanamide
CID 109011504
3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide
CID 36913411

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide (CID 61249787) is 3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide is O=C(CCNC1CC1)NCc1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide?
The InChIKey is YBEWCULKJVJGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-15(5-6-16-12-2-3-12)17-10-11-1-4-13-14(9-11)20-8-7-19-13/h1,4,9,12,16H,2-3,5-8,10H2,(H,17,18).
What are the key properties of 3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide?
3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide has a molecular weight of 276.34 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide is sourced from PubChem (CID 61249787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).