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

C15H22N2O3 — CID 119299788

IUPAC4-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]butanamide
SMILESCCC(NC(=O)CCCN)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H22N2O3/c1-2-12(17-15(18)4-3-7-16)11-5-6-13-14(10-11)20-9-8-19-13/h5-6,10,12H,2-4,7-9,16H2,1H3,(H,17,18)
InChIKeyLLVPVDAFTOODAM-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.76
Rot. Bonds6

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

4-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]butanamide (PubChem CID 119299788) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]butanamide
PubChem CID119299788
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]butanamide
SMILESCCC(NC(=O)CCCN)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H22N2O3/c1-2-12(17-15(18)4-3-7-16)11-5-6-13-14(10-11)20-9-8-19-13/h5-6,10,12H,2-4,7-9,16H2,1H3,(H,17,18)
InChIKeyLLVPVDAFTOODAM-UHFFFAOYSA-N
XLogP1.76
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-oxo-4-phenylbutanamide
CID 55951268
2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]-2-oxoacetic acid
CID 99784112
4-amino-N-(1-phenylpropyl)butanamide
CID 62305395
N-[(1R,2R)-3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxypropan-2-yl]octanamide
CID 70280539
4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide
CID 43708620
(2S,5R)-5-(aminomethyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]oxolane-2-carboxamide;hydrochloride
CID 120789179
N-[1-(4-chlorophenyl)propyl]-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanamide
CID 24613385
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,2-diphenylacetamide
CID 60538414
N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 93070562
4-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[1-(4-methylphenyl)propyl]butanamide
CID 53287778
6-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]hexanamide
CID 43704415
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 51966629

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]butanamide?
The IUPAC name of 4-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]butanamide (CID 119299788) is 4-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]butanamide.
What is the SMILES notation for 4-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]butanamide?
The canonical SMILES for 4-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]butanamide is CCC(NC(=O)CCCN)c1ccc2c(c1)OCCO2.
What is the InChIKey of 4-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]butanamide?
The InChIKey is LLVPVDAFTOODAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-12(17-15(18)4-3-7-16)11-5-6-13-14(10-11)20-9-8-19-13/h5-6,10,12H,2-4,7-9,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]butanamide?
4-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]butanamide has a molecular weight of 278.35 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]butanamide is sourced from PubChem (CID 119299788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).