N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C16H19NO3 — CID 79120299

IUPACN-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCN(C(=O)C1Cc2ccccc2O1)C1CCC(=O)CC1
InChIInChI=1S/C16H19NO3/c1-17(12-6-8-13(18)9-7-12)16(19)15-10-11-4-2-3-5-14(11)20-15/h2-5,12,15H,6-10H2,1H3
InChIKeyMKYXUYZRUKSQPH-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.96
Rot. Bonds2

About N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1-benzofuran-2-carboxamide

N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 79120299) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID79120299
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCN(C(=O)C1Cc2ccccc2O1)C1CCC(=O)CC1
InChIInChI=1S/C16H19NO3/c1-17(12-6-8-13(18)9-7-12)16(19)15-10-11-4-2-3-5-14(11)20-15/h2-5,12,15H,6-10H2,1H3
InChIKeyMKYXUYZRUKSQPH-UHFFFAOYSA-N
XLogP1.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 134060952
N-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51232488
2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]propanoic acid
CID 55098742
2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 55123678
N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698834
N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 102684830
N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698818
N-hydroxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 19815598
N-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 61350079
N-(2-chloroethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 63391507
N-ethyl-N-piperidin-3-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60807234
methyl-(4-oxocyclohexyl)carbamic acid
CID 22236346

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 79120299) is N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1-benzofuran-2-carboxamide is CN(C(=O)C1Cc2ccccc2O1)C1CCC(=O)CC1.
What is the InChIKey of N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is MKYXUYZRUKSQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-17(12-6-8-13(18)9-7-12)16(19)15-10-11-4-2-3-5-14(11)20-15/h2-5,12,15H,6-10H2,1H3.
What are the key properties of N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 79120299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).