N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

C17H21NO3 — CID 2671520

IUPACN-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NC3CCCCC3)c(C)c2c1
InChIInChI=1S/C17H21NO3/c1-11-14-10-13(20-2)8-9-15(14)21-16(11)17(19)18-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,18,19)
InChIKeyNGYJERDKPKMGJD-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.81
Rot. Bonds3

About N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 2671520) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID2671520
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NC3CCCCC3)c(C)c2c1
InChIInChI=1S/C17H21NO3/c1-11-14-10-13(20-2)8-9-15(14)21-16(11)17(19)18-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,18,19)
InChIKeyNGYJERDKPKMGJD-UHFFFAOYSA-N
XLogP3.81
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 9090114
N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2644358
N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16648842
N-cyclohexyl-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 1130073
ethyl 4-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]piperidine-1-carboxylate
CID 51193858
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7270253
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 134047684
5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 86965684
6-methoxy-3-methyl-N-(oxan-3-yl)-1-benzofuran-2-carboxamide
CID 70730889
N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2469436
N-(2,6-dimethylpiperidin-1-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 3506352
5-methoxy-3-methyl-N-(3-piperidin-1-ium-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 9049025

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (CID 2671520) is N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)NC3CCCCC3)c(C)c2c1.
What is the InChIKey of N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is NGYJERDKPKMGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-14-10-13(20-2)8-9-15(14)21-16(11)17(19)18-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,18,19).
What are the key properties of N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2671520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).