N-(4-acetamidophenyl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide

C20H20N2O3 — CID 27104970

IUPACN-(4-acetamidophenyl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2oc3c(C)cc(C)cc3c2C)cc1
InChIInChI=1S/C20H20N2O3/c1-11-9-12(2)18-17(10-11)13(3)19(25-18)20(24)22-16-7-5-15(6-8-16)21-14(4)23/h5-10H,1-4H3,(H,21,23)(H,22,24)
InChIKeyBXKWNQXNUDAPSE-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.57
Rot. Bonds3

About N-(4-acetamidophenyl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide

N-(4-acetamidophenyl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide (PubChem CID 27104970) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide
PubChem CID27104970
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(4-acetamidophenyl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2oc3c(C)cc(C)cc3c2C)cc1
InChIInChI=1S/C20H20N2O3/c1-11-9-12(2)18-17(10-11)13(3)19(25-18)20(24)22-16-7-5-15(6-8-16)21-14(4)23/h5-10H,1-4H3,(H,21,23)(H,22,24)
InChIKeyBXKWNQXNUDAPSE-UHFFFAOYSA-N
XLogP4.57
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5,7-trimethyl-1-benzofuran-2-yl)ethanone
CID 43155116
3,5,7-trimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 118984818
7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 7899827
N-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 7464080
N-(3-acetamidophenyl)-5,7-dichloro-3-methyl-1-benzofuran-2-carboxamide
CID 25498313
N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 7945365
N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8701405
3,5,7-trimethyl-N-[(4-phenoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 163347487
N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2115784
N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]acetamide
CID 711630
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide
CID 18854262
3,5,7-trimethyl-N-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 18864682

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide (CID 27104970) is N-(4-acetamidophenyl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2oc3c(C)cc(C)cc3c2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide?
The InChIKey is BXKWNQXNUDAPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-11-9-12(2)18-17(10-11)13(3)19(25-18)20(24)22-16-7-5-15(6-8-16)21-14(4)23/h5-10H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-acetamidophenyl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide?
N-(4-acetamidophenyl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 27104970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).