2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pentanamide

C15H22N2O3 — CID 43708555

IUPAC2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pentanamide
SMILESCCCC(N)C(=O)NC(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H22N2O3/c1-3-4-12(16)15(18)17-10(2)11-5-6-13-14(9-11)20-8-7-19-13/h5-6,9-10,12H,3-4,7-8,16H2,1-2H3,(H,17,18)
InChIKeyYHLXLCNSITZKHR-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.76
Rot. Bonds5

About 2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pentanamide

2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pentanamide (PubChem CID 43708555) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pentanamide
PubChem CID43708555
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pentanamide
SMILESCCCC(N)C(=O)NC(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H22N2O3/c1-3-4-12(16)15(18)17-10(2)11-5-6-13-14(9-11)20-8-7-19-13/h5-6,9-10,12H,3-4,7-8,16H2,1-2H3,(H,17,18)
InChIKeyYHLXLCNSITZKHR-UHFFFAOYSA-N
XLogP1.76
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide;hydrochloride
CID 119270832
(2R)-2-amino-N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-3-hydroxypropanamide
CID 129077537
(2R)-2-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-methylpentanamide
CID 104902772
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methoxypropanamide
CID 115588112
(2S)-2-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-methylpentanamide;hydrochloride
CID 119699886
1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propylurea
CID 29024804
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 61249825
(2R)-2-amino-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]propanamide
CID 93043833
2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride
CID 119269406
(2R)-2-amino-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 103794630
(2S,3S)-2-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methylpentanamide
CID 61178175
(2S)-2-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide
CID 61178173

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pentanamide?
The IUPAC name of 2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pentanamide (CID 43708555) is 2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pentanamide.
What is the SMILES notation for 2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pentanamide?
The canonical SMILES for 2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pentanamide is CCCC(N)C(=O)NC(C)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pentanamide?
The InChIKey is YHLXLCNSITZKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-4-12(16)15(18)17-10(2)11-5-6-13-14(9-11)20-8-7-19-13/h5-6,9-10,12H,3-4,7-8,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pentanamide?
2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pentanamide has a molecular weight of 278.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pentanamide is sourced from PubChem (CID 43708555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).