N-[2-[(dimethylamino)methyl]cyclohexyl]-3,5-dimethyl-1-benzofuran-2-carboxamide

C20H28N2O2 — CID 110279135

IUPACN-[2-[(dimethylamino)methyl]cyclohexyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NC3CCCCC3CN(C)C)c(C)c2c1
InChIInChI=1S/C20H28N2O2/c1-13-9-10-18-16(11-13)14(2)19(24-18)20(23)21-17-8-6-5-7-15(17)12-22(3)4/h9-11,15,17H,5-8,12H2,1-4H3,(H,21,23)
InChIKeyKJMMPPSVWTUWJU-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.90
Rot. Bonds4

About N-[2-[(dimethylamino)methyl]cyclohexyl]-3,5-dimethyl-1-benzofuran-2-carboxamide

N-[2-[(dimethylamino)methyl]cyclohexyl]-3,5-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 110279135) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]cyclohexyl]-3,5-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]cyclohexyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
PubChem CID110279135
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-[2-[(dimethylamino)methyl]cyclohexyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NC3CCCCC3CN(C)C)c(C)c2c1
InChIInChI=1S/C20H28N2O2/c1-13-9-10-18-16(11-13)14(2)19(24-18)20(23)21-17-8-6-5-7-15(17)12-22(3)4/h9-11,15,17H,5-8,12H2,1-4H3,(H,21,23)
InChIKeyKJMMPPSVWTUWJU-UHFFFAOYSA-N
XLogP3.90
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16648842
N-[2-(aminomethyl)cyclohexyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119610668
5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
CID 103774296
5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
CID 103751185
N-[2-(aminomethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
CID 119605138
3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 42107595
N-[2-[(dimethylamino)methyl]cyclohexyl]-4-fluorobenzamide
CID 110279233
N-[2-[(dimethylamino)methyl]cyclohexyl]-4-methoxybenzamide
CID 110279273
3-methyl-N-(2-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 5220536
N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2671520
1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone
CID 15841993
N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 119058773

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]cyclohexyl]-3,5-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]cyclohexyl]-3,5-dimethyl-1-benzofuran-2-carboxamide (CID 110279135) is N-[2-[(dimethylamino)methyl]cyclohexyl]-3,5-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]cyclohexyl]-3,5-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]cyclohexyl]-3,5-dimethyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NC3CCCCC3CN(C)C)c(C)c2c1.
What is the InChIKey of N-[2-[(dimethylamino)methyl]cyclohexyl]-3,5-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is KJMMPPSVWTUWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-13-9-10-18-16(11-13)14(2)19(24-18)20(23)21-17-8-6-5-7-15(17)12-22(3)4/h9-11,15,17H,5-8,12H2,1-4H3,(H,21,23).
What are the key properties of N-[2-[(dimethylamino)methyl]cyclohexyl]-3,5-dimethyl-1-benzofuran-2-carboxamide?
N-[2-[(dimethylamino)methyl]cyclohexyl]-3,5-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]cyclohexyl]-3,5-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 110279135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).