N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C17H24N2O2 — CID 63767439

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC1CCC(CN)(NC(=O)C2Cc3ccccc3O2)CC1
InChIInChI=1S/C17H24N2O2/c1-12-6-8-17(11-18,9-7-12)19-16(20)15-10-13-4-2-3-5-14(13)21-15/h2-5,12,15H,6-11,18H2,1H3,(H,19,20)
InChIKeyYNOYINQJUSVNCL-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.01
Rot. Bonds3

About N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 63767439) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID63767439
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC1CCC(CN)(NC(=O)C2Cc3ccccc3O2)CC1
InChIInChI=1S/C17H24N2O2/c1-12-6-8-17(11-18,9-7-12)19-16(20)15-10-13-4-2-3-5-14(13)21-15/h2-5,12,15H,6-11,18H2,1H3,(H,19,20)
InChIKeyYNOYINQJUSVNCL-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 63767439) is N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide is CC1CCC(CN)(NC(=O)C2Cc3ccccc3O2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is YNOYINQJUSVNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-6-8-17(11-18,9-7-12)19-16(20)15-10-13-4-2-3-5-14(13)21-15/h2-5,12,15H,6-11,18H2,1H3,(H,19,20).
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 63767439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).