N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide

C23H28N2O2 — CID 35575488

IUPACN-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc([C@@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)N(C)C)cc1
InChIInChI=1S/C23H28N2O2/c1-14-7-9-18(10-8-14)19(25(5)6)13-24-23(26)22-17(4)21-16(3)11-15(2)12-20(21)27-22/h7-12,19H,13H2,1-6H3,(H,24,26)/t19-/m1/s1
InChIKeyCSMGDRKQTQXLKW-LJQANCHMSA-N
MW364.49 g/mol
LogP4.70
Rot. Bonds5

About N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide

N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide (PubChem CID 35575488) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide
PubChem CID35575488
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc([C@@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)N(C)C)cc1
InChIInChI=1S/C23H28N2O2/c1-14-7-9-18(10-8-14)19(25(5)6)13-24-23(26)22-17(4)21-16(3)11-15(2)12-20(21)27-22/h7-12,19H,13H2,1-6H3,(H,24,26)/t19-/m1/s1
InChIKeyCSMGDRKQTQXLKW-LJQANCHMSA-N
XLogP4.70
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,6-trimethyl-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 35573005
3,4,6-trimethyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 43843593
5-chloro-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 35576709
3,4,6-trimethyl-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 35345195
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 35577324
N-[2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 52988413
3,4,6-trimethyl-N-[[4-(4-propan-2-ylphenoxy)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 163347668
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide
CID 43843401
N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide
CID 17012280
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 52985362
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide
CID 7496074
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide
CID 45155049

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide (CID 35575488) is N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide is Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)N(C)C)cc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide?
The InChIKey is CSMGDRKQTQXLKW-LJQANCHMSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-14-7-9-18(10-8-14)19(25(5)6)13-24-23(26)22-17(4)21-16(3)11-15(2)12-20(21)27-22/h7-12,19H,13H2,1-6H3,(H,24,26)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide?
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 35575488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).