N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide

C23H26N2O3 — CID 139003783

IUPACN-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)NCC3(N(C)C)Cc4ccccc4C3)c2c1
InChIInChI=1S/C23H26N2O3/c1-15-21(19-11-18(27-4)9-10-20(19)28-15)22(26)24-14-23(25(2)3)12-16-7-5-6-8-17(16)13-23/h5-11H,12-14H2,1-4H3,(H,24,26)
InChIKeyPDMGIGWBLXENAU-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.58
Rot. Bonds5

About N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide

N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 139003783) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
PubChem CID139003783
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)NCC3(N(C)C)Cc4ccccc4C3)c2c1
InChIInChI=1S/C23H26N2O3/c1-15-21(19-11-18(27-4)9-10-20(19)28-15)22(26)24-14-23(25(2)3)12-16-7-5-6-8-17(16)13-23/h5-11H,12-14H2,1-4H3,(H,24,26)
InChIKeyPDMGIGWBLXENAU-UHFFFAOYSA-N
XLogP3.58
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111331196
N-[(2-chlorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 51065486
N-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111115760
N-(3-hydroxy-3-phenylpropyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111471937
4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]butanoic acid
CID 13415654
5-methoxy-2-methyl-N-(3-methylphenyl)-1-benzofuran-3-carboxamide
CID 51065526
N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 110899118
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
N-(2-bromophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 51065520
N'-(2-chlorobenzoyl)-5-methoxy-2-methyl-1-benzofuran-3-carbohydrazide
CID 55787551
5-methoxy-2-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-3-carboxamide
CID 55789548
N-[2-(3-chlorophenoxy)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 55793954

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide (CID 139003783) is N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide is COc1ccc2oc(C)c(C(=O)NCC3(N(C)C)Cc4ccccc4C3)c2c1.
What is the InChIKey of N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is PDMGIGWBLXENAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15-21(19-11-18(27-4)9-10-20(19)28-15)22(26)24-14-23(25(2)3)12-16-7-5-6-8-17(16)13-23/h5-11H,12-14H2,1-4H3,(H,24,26).
What are the key properties of N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 139003783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).