N-(1-aminohexan-2-yl)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide

C17H26N2O2 — CID 119668837

IUPACN-(1-aminohexan-2-yl)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCCCC(CN)NC(=O)C1Cc2cc(C)c(C)cc2O1
InChIInChI=1S/C17H26N2O2/c1-4-5-6-14(10-18)19-17(20)16-9-13-7-11(2)12(3)8-15(13)21-16/h7-8,14,16H,4-6,9-10,18H2,1-3H3,(H,19,20)
InChIKeyIOFCHWYAMINGPI-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.24
Rot. Bonds6

About N-(1-aminohexan-2-yl)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide

N-(1-aminohexan-2-yl)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 119668837) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID119668837
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(1-aminohexan-2-yl)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCCCC(CN)NC(=O)C1Cc2cc(C)c(C)cc2O1
InChIInChI=1S/C17H26N2O2/c1-4-5-6-14(10-18)19-17(20)16-9-13-7-11(2)12(3)8-15(13)21-16/h7-8,14,16H,4-6,9-10,18H2,1-3H3,(H,19,20)
InChIKeyIOFCHWYAMINGPI-UHFFFAOYSA-N
XLogP2.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide (CID 119668837) is N-(1-aminohexan-2-yl)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide is CCCCC(CN)NC(=O)C1Cc2cc(C)c(C)cc2O1.
What is the InChIKey of N-(1-aminohexan-2-yl)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is IOFCHWYAMINGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-5-6-14(10-18)19-17(20)16-9-13-7-11(2)12(3)8-15(13)21-16/h7-8,14,16H,4-6,9-10,18H2,1-3H3,(H,19,20).
What are the key properties of N-(1-aminohexan-2-yl)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(1-aminohexan-2-yl)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.24, 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)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 119668837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).