N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide

C23H28N2O3 — CID 25387946

IUPACN-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCOc1ccccc1[C@H](CNC(=O)Cc1coc2c(C)c(C)ccc12)N(C)C
InChIInChI=1S/C23H28N2O3/c1-15-10-11-18-17(14-28-23(18)16(15)2)12-22(26)24-13-20(25(3)4)19-8-6-7-9-21(19)27-5/h6-11,14,20H,12-13H2,1-5H3,(H,24,26)/t20-/m0/s1
InChIKeyGKUSXDGGHDOYFC-FQEVSTJZSA-N
MW380.49 g/mol
LogP4.02
Rot. Bonds7

About N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide

N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 25387946) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID25387946
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCOc1ccccc1[C@H](CNC(=O)Cc1coc2c(C)c(C)ccc12)N(C)C
InChIInChI=1S/C23H28N2O3/c1-15-10-11-18-17(14-28-23(18)16(15)2)12-22(26)24-13-20(25(3)4)19-8-6-7-9-21(19)27-5/h6-11,14,20H,12-13H2,1-5H3,(H,24,26)/t20-/m0/s1
InChIKeyGKUSXDGGHDOYFC-FQEVSTJZSA-N
XLogP4.02
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxyphenyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 8778381
4-[[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]methyl]-7,8-dimethylchromen-2-one
CID 9262951
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 30521032
N-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 119497942
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 8935369
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 9143075
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 1285216
3-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 119250279
methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate
CID 40918319
5-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]pentanoic acid
CID 119235240
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-(2-methylphenoxy)butanamide
CID 55538099

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide (CID 25387946) is N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide is COc1ccccc1[C@H](CNC(=O)Cc1coc2c(C)c(C)ccc12)N(C)C.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is GKUSXDGGHDOYFC-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-15-10-11-18-17(14-28-23(18)16(15)2)12-22(26)24-13-20(25(3)4)19-8-6-7-9-21(19)27-5/h6-11,14,20H,12-13H2,1-5H3,(H,24,26)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 380.49 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 25387946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).