N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(hydroxymethyl)-1-benzofuran-2-carboxamide

C20H19NO4 — CID 154868938

IUPACN-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(hydroxymethyl)-1-benzofuran-2-carboxamide
SMILESCC1(C)Cc2cccc(NC(=O)c3oc4ccccc4c3CO)c2O1
InChIInChI=1S/C20H19NO4/c1-20(2)10-12-6-5-8-15(17(12)25-20)21-19(23)18-14(11-22)13-7-3-4-9-16(13)24-18/h3-9,22H,10-11H2,1-2H3,(H,21,23)
InChIKeyILNSRTIYVSXZCU-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.89
Rot. Bonds3

About N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(hydroxymethyl)-1-benzofuran-2-carboxamide

N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(hydroxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 154868938) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(hydroxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(hydroxymethyl)-1-benzofuran-2-carboxamide
PubChem CID154868938
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC NameN-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(hydroxymethyl)-1-benzofuran-2-carboxamide
SMILESCC1(C)Cc2cccc(NC(=O)c3oc4ccccc4c3CO)c2O1
InChIInChI=1S/C20H19NO4/c1-20(2)10-12-6-5-8-15(17(12)25-20)21-19(23)18-14(11-22)13-7-3-4-9-16(13)24-18/h3-9,22H,10-11H2,1-2H3,(H,21,23)
InChIKeyILNSRTIYVSXZCU-UHFFFAOYSA-N
XLogP3.89
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-naphthalen-1-yloxypropanamide
CID 134093208
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 69170940
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylurea
CID 134105455
3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 7734068
N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 119046569
tert-butyl N-(2,2-dimethyl-3H-1-benzofuran-7-yl)carbamate
CID 69419090
2-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropanamide
CID 134099930
N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55899409
N-(2-ethoxyphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7699468
4-cyclobutyl-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxypiperidine-1-carboxamide
CID 136562958
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide
CID 18074370
3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide
CID 30728400

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(hydroxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(hydroxymethyl)-1-benzofuran-2-carboxamide (CID 154868938) is N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(hydroxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(hydroxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(hydroxymethyl)-1-benzofuran-2-carboxamide is CC1(C)Cc2cccc(NC(=O)c3oc4ccccc4c3CO)c2O1.
What is the InChIKey of N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(hydroxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is ILNSRTIYVSXZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-20(2)10-12-6-5-8-15(17(12)25-20)21-19(23)18-14(11-22)13-7-3-4-9-16(13)24-18/h3-9,22H,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(hydroxymethyl)-1-benzofuran-2-carboxamide?
N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(hydroxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(hydroxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 154868938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).