3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-N',N'-dimethylpropanehydrazide

C13H19N3O2 — CID 116850062

IUPAC3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-N',N'-dimethylpropanehydrazide
SMILESCN(C)NC(=O)CC(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H19N3O2/c1-16(2)15-13(17)8-11(14)9-3-4-12-10(7-9)5-6-18-12/h3-4,7,11H,5-6,8,14H2,1-2H3,(H,15,17)
InChIKeyKHDRAJFCMFHRJL-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.60
Rot. Bonds4

About 3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-N',N'-dimethylpropanehydrazide

3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-N',N'-dimethylpropanehydrazide (PubChem CID 116850062) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-N',N'-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-N',N'-dimethylpropanehydrazide
PubChem CID116850062
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-N',N'-dimethylpropanehydrazide
SMILESCN(C)NC(=O)CC(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H19N3O2/c1-16(2)15-13(17)8-11(14)9-3-4-12-10(7-9)5-6-18-12/h3-4,7,11H,5-6,8,14H2,1-2H3,(H,15,17)
InChIKeyKHDRAJFCMFHRJL-UHFFFAOYSA-N
XLogP0.60
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (3S)-3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoate;hydrochloride
CID 171240480
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
6-amino-6-(2,3-dihydro-1-benzofuran-5-yl)hexanamide
CID 54927378
(4R)-4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 28744449
4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 43209176
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride
CID 86262999
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
CID 171202474
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-2,3-dihydroxypropanoate
CID 171864210
(2S)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 66510589
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 93297974
1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride
CID 86262922
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]acetamide
CID 43754741

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-N',N'-dimethylpropanehydrazide?
The IUPAC name of 3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-N',N'-dimethylpropanehydrazide (CID 116850062) is 3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-N',N'-dimethylpropanehydrazide.
What is the SMILES notation for 3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-N',N'-dimethylpropanehydrazide?
The canonical SMILES for 3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-N',N'-dimethylpropanehydrazide is CN(C)NC(=O)CC(N)c1ccc2c(c1)CCO2.
What is the InChIKey of 3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-N',N'-dimethylpropanehydrazide?
The InChIKey is KHDRAJFCMFHRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16(2)15-13(17)8-11(14)9-3-4-12-10(7-9)5-6-18-12/h3-4,7,11H,5-6,8,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-N',N'-dimethylpropanehydrazide?
3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-N',N'-dimethylpropanehydrazide has a molecular weight of 249.31 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-N',N'-dimethylpropanehydrazide is sourced from PubChem (CID 116850062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).