N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

C18H23NO3 — CID 2644358

IUPACN-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NCC3CCCCC3)c(C)c2c1
InChIInChI=1S/C18H23NO3/c1-12-15-10-14(21-2)8-9-16(15)22-17(12)18(20)19-11-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,19,20)
InChIKeyOMLFYHNDZXPRPW-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.06
Rot. Bonds4

About N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 2644358) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID2644358
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NCC3CCCCC3)c(C)c2c1
InChIInChI=1S/C18H23NO3/c1-12-15-10-14(21-2)8-9-16(15)22-17(12)18(20)19-11-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,19,20)
InChIKeyOMLFYHNDZXPRPW-UHFFFAOYSA-N
XLogP4.06
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 94020732
N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2671520
5-methoxy-3-methyl-N-(3-piperidin-1-ium-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 9049025
N-(cyclobutylmethyl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 95756517
N-[(1-hydroxycyclobutyl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 111445162
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
1-cyclopentyl-3-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 9090114
N-[[(3R)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]butanamide
CID 52513590
N-[2-(methanesulfonamido)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 86922051
5-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 55659157
5-methoxy-3-methyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 8969278

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (CID 2644358) is N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)NCC3CCCCC3)c(C)c2c1.
What is the InChIKey of N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is OMLFYHNDZXPRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-12-15-10-14(21-2)8-9-16(15)22-17(12)18(20)19-11-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,19,20).
What are the key properties of N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2644358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).