N-(1-aminohexan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide

C15H22N2O2 — CID 80697516

IUPACN-(1-aminohexan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCCCCC(CN)NC(=O)C1COc2ccccc21
InChIInChI=1S/C15H22N2O2/c1-2-3-6-11(9-16)17-15(18)13-10-19-14-8-5-4-7-12(13)14/h4-5,7-8,11,13H,2-3,6,9-10,16H2,1H3,(H,17,18)
InChIKeyFWITUGBWYANNDP-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.80
Rot. Bonds6

About N-(1-aminohexan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide

N-(1-aminohexan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 80697516) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID80697516
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(1-aminohexan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCCCCC(CN)NC(=O)C1COc2ccccc21
InChIInChI=1S/C15H22N2O2/c1-2-3-6-11(9-16)17-15(18)13-10-19-14-8-5-4-7-12(13)14/h4-5,7-8,11,13H,2-3,6,9-10,16H2,1H3,(H,17,18)
InChIKeyFWITUGBWYANNDP-UHFFFAOYSA-N
XLogP1.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 80696358
N-(4-amino-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 106152017
N-(1-aminopentan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 65190921
butyl 2,3-dihydro-1-benzofuran-3-carboxylate
CID 78960804
N-(4-chlorobutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 83179536
N-(1-aminohexan-2-yl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119667796
N-pent-1-yn-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103579233
N-(4-amino-4-hydroxyiminobutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 77020855
(3S)-N-[(2R)-1-cyanopropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 95359121
N-(1-amino-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 106164175
N-(1-aminohexan-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyrrolidine-3-carboxamide
CID 119666731
N-octan-4-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 106025969

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide (CID 80697516) is N-(1-aminohexan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide is CCCCC(CN)NC(=O)C1COc2ccccc21.
What is the InChIKey of N-(1-aminohexan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is FWITUGBWYANNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-3-6-11(9-16)17-15(18)13-10-19-14-8-5-4-7-12(13)14/h4-5,7-8,11,13H,2-3,6,9-10,16H2,1H3,(H,17,18).
What are the key properties of N-(1-aminohexan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide?
N-(1-aminohexan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 80697516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).