6-amino-6-(2,3-dihydro-1-benzofuran-5-yl)hexanamide

C14H20N2O2 — CID 54927378

IUPAC6-amino-6-(2,3-dihydro-1-benzofuran-5-yl)hexanamide
SMILESNC(=O)CCCCC(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H20N2O2/c15-12(3-1-2-4-14(16)17)10-5-6-13-11(9-10)7-8-18-13/h5-6,9,12H,1-4,7-8,15H2,(H2,16,17)
InChIKeyURUVJTYHGZXGRM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.67
Rot. Bonds6

About 6-amino-6-(2,3-dihydro-1-benzofuran-5-yl)hexanamide

6-amino-6-(2,3-dihydro-1-benzofuran-5-yl)hexanamide (PubChem CID 54927378) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-amino-6-(2,3-dihydro-1-benzofuran-5-yl)hexanamide.

Molecular Properties

Compound Name6-amino-6-(2,3-dihydro-1-benzofuran-5-yl)hexanamide
PubChem CID54927378
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name6-amino-6-(2,3-dihydro-1-benzofuran-5-yl)hexanamide
SMILESNC(=O)CCCCC(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H20N2O2/c15-12(3-1-2-4-14(16)17)10-5-6-13-11(9-10)7-8-18-13/h5-6,9,12H,1-4,7-8,15H2,(H2,16,17)
InChIKeyURUVJTYHGZXGRM-UHFFFAOYSA-N
XLogP1.67
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide
CID 54907654
(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)pentan-1-amine;hydrochloride
CID 86262922
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-fluoropropan-1-amine
CID 131499914
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-4-phenylbutan-1-amine
CID 794253
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
CID 171202474
4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanenitrile
CID 116940064
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 93297974
(2S)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 66510589
methyl (3S)-3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoate;hydrochloride
CID 171240480

Frequently Asked Questions

What is the IUPAC name of 6-amino-6-(2,3-dihydro-1-benzofuran-5-yl)hexanamide?
The IUPAC name of 6-amino-6-(2,3-dihydro-1-benzofuran-5-yl)hexanamide (CID 54927378) is 6-amino-6-(2,3-dihydro-1-benzofuran-5-yl)hexanamide.
What is the SMILES notation for 6-amino-6-(2,3-dihydro-1-benzofuran-5-yl)hexanamide?
The canonical SMILES for 6-amino-6-(2,3-dihydro-1-benzofuran-5-yl)hexanamide is NC(=O)CCCCC(N)c1ccc2c(c1)CCO2.
What is the InChIKey of 6-amino-6-(2,3-dihydro-1-benzofuran-5-yl)hexanamide?
The InChIKey is URUVJTYHGZXGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-12(3-1-2-4-14(16)17)10-5-6-13-11(9-10)7-8-18-13/h5-6,9,12H,1-4,7-8,15H2,(H2,16,17).
What are the key properties of 6-amino-6-(2,3-dihydro-1-benzofuran-5-yl)hexanamide?
6-amino-6-(2,3-dihydro-1-benzofuran-5-yl)hexanamide has a molecular weight of 248.33 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6-(2,3-dihydro-1-benzofuran-5-yl)hexanamide is sourced from PubChem (CID 54927378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).