3-[(dimethylamino)methyl]-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-benzofuran-2-carboxamide

C19H26N2O3 — CID 95932852

IUPAC3-[(dimethylamino)methyl]-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-benzofuran-2-carboxamide
SMILESCN(C)Cc1c(C(=O)NC[C@H]2CCCC[C@@H]2O)oc2ccccc12
InChIInChI=1S/C19H26N2O3/c1-21(2)12-15-14-8-4-6-10-17(14)24-18(15)19(23)20-11-13-7-3-5-9-16(13)22/h4,6,8,10,13,16,22H,3,5,7,9,11-12H2,1-2H3,(H,20,23)/t13-,16+/m1/s1
InChIKeyWQLSAWBACBQAGG-CJNGLKHVSA-N
MW330.43 g/mol
LogP2.78
Rot. Bonds5

About 3-[(dimethylamino)methyl]-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-benzofuran-2-carboxamide

3-[(dimethylamino)methyl]-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 95932852) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID95932852
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name3-[(dimethylamino)methyl]-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-benzofuran-2-carboxamide
SMILESCN(C)Cc1c(C(=O)NC[C@H]2CCCC[C@@H]2O)oc2ccccc12
InChIInChI=1S/C19H26N2O3/c1-21(2)12-15-14-8-4-6-10-17(14)24-18(15)19(23)20-11-13-7-3-5-9-16(13)22/h4,6,8,10,13,16,22H,3,5,7,9,11-12H2,1-2H3,(H,20,23)/t13-,16+/m1/s1
InChIKeyWQLSAWBACBQAGG-CJNGLKHVSA-N
XLogP2.78
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(dimethylamino)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide;dihydrochloride
CID 120948162
3-[(dimethylamino)methyl]-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;dihydrochloride
CID 119462752
3-[(dimethylamino)methyl]-N-piperidin-3-yl-1-benzofuran-2-carboxamide
CID 119427274
3-[(dimethylamino)methyl]-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide
CID 119432397
3-[(dimethylamino)methyl]-N-[(4-hydroxythian-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 111484704
3-[(dimethylamino)methyl]-N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 71991550
3-[(dimethylamino)methyl]-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide
CID 71990827
3-[(dimethylamino)methyl]-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 139005777
[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119646767
3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide
CID 11749858
3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide;methane
CID 159274996
3-[(dimethylamino)methyl]-N-methyl-N-[(1R,3S)-3-methylsulfanylcyclopentyl]-1-benzofuran-2-carboxamide
CID 96521734

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-benzofuran-2-carboxamide (CID 95932852) is 3-[(dimethylamino)methyl]-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-benzofuran-2-carboxamide is CN(C)Cc1c(C(=O)NC[C@H]2CCCC[C@@H]2O)oc2ccccc12.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is WQLSAWBACBQAGG-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-21(2)12-15-14-8-4-6-10-17(14)24-18(15)19(23)20-11-13-7-3-5-9-16(13)22/h4,6,8,10,13,16,22H,3,5,7,9,11-12H2,1-2H3,(H,20,23)/t13-,16+/m1/s1.
What are the key properties of 3-[(dimethylamino)methyl]-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-benzofuran-2-carboxamide?
3-[(dimethylamino)methyl]-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 95932852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).