3,4,7-trimethyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide

C22H24N2O3 — CID 52743373

IUPAC3,4,7-trimethyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(C)c2c(C)c(C(=O)Nc3ccccc3C(=O)NC(C)C)oc12
InChIInChI=1S/C22H24N2O3/c1-12(2)23-21(25)16-8-6-7-9-17(16)24-22(26)20-15(5)18-13(3)10-11-14(4)19(18)27-20/h6-12H,1-5H3,(H,23,25)(H,24,26)
InChIKeyNQPAQAKRNTXETI-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.75
Rot. Bonds4

About 3,4,7-trimethyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide

3,4,7-trimethyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 52743373) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3,4,7-trimethyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,4,7-trimethyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID52743373
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name3,4,7-trimethyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(C)c2c(C)c(C(=O)Nc3ccccc3C(=O)NC(C)C)oc12
InChIInChI=1S/C22H24N2O3/c1-12(2)23-21(25)16-8-6-7-9-17(16)24-22(26)20-15(5)18-13(3)10-11-14(4)19(18)27-20/h6-12H,1-5H3,(H,23,25)(H,24,26)
InChIKeyNQPAQAKRNTXETI-UHFFFAOYSA-N
XLogP4.75
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,4,7-trimethyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(ethylaminomethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119440832
2-(2-methylpropanoylamino)-N-propan-2-ylbenzamide
CID 34564562
N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 51216735
N-(3-aminobutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119499601
3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
CID 43911360
N-propan-2-yl-2-[(2-propan-2-yloxybenzoyl)amino]benzamide
CID 17045597
N-(2-amino-2-phenylethyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 119529618
5-(methoxymethyl)-N-[2-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 78865416
2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 34567735
methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate
CID 28638001
2-[[4-(benzenesulfonamido)benzoyl]amino]-N-propan-2-ylbenzamide
CID 2979282
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205

Frequently Asked Questions

What is the IUPAC name of 3,4,7-trimethyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3,4,7-trimethyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide (CID 52743373) is 3,4,7-trimethyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,4,7-trimethyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,4,7-trimethyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide is Cc1ccc(C)c2c(C)c(C(=O)Nc3ccccc3C(=O)NC(C)C)oc12.
What is the InChIKey of 3,4,7-trimethyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is NQPAQAKRNTXETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-12(2)23-21(25)16-8-6-7-9-17(16)24-22(26)20-15(5)18-13(3)10-11-14(4)19(18)27-20/h6-12H,1-5H3,(H,23,25)(H,24,26).
What are the key properties of 3,4,7-trimethyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
3,4,7-trimethyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7-trimethyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 52743373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).