N-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide

C22H22N2O3 — CID 17441796

IUPACN-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
SMILESCc1ccc2c(CC(=O)Nc3ccc(NC(=O)C4CC4)cc3)coc2c1C
InChIInChI=1S/C22H22N2O3/c1-13-3-10-19-16(12-27-21(19)14(13)2)11-20(25)23-17-6-8-18(9-7-17)24-22(26)15-4-5-15/h3,6-10,12,15H,4-5,11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGUGZCHKOZKUIIP-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.58
Rot. Bonds5

About N-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide

N-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 17441796) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID17441796
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
SMILESCc1ccc2c(CC(=O)Nc3ccc(NC(=O)C4CC4)cc3)coc2c1C
InChIInChI=1S/C22H22N2O3/c1-13-3-10-19-16(12-27-21(19)14(13)2)11-20(25)23-17-6-8-18(9-7-17)24-22(26)15-4-5-15/h3,6-10,12,15H,4-5,11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGUGZCHKOZKUIIP-UHFFFAOYSA-N
XLogP4.58
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide with MolForge

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Related Compounds

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 40775798
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 78767344
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 1285216
N-(2,3-dichlorophenyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 1243073
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 9440899
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 112761443
5-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]pentanoic acid
CID 119235240
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 42989351
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120557704
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617827
N-[4-[[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 38128775

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide (CID 17441796) is N-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide is Cc1ccc2c(CC(=O)Nc3ccc(NC(=O)C4CC4)cc3)coc2c1C.
What is the InChIKey of N-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is GUGZCHKOZKUIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-13-3-10-19-16(12-27-21(19)14(13)2)11-20(25)23-17-6-8-18(9-7-17)24-22(26)15-4-5-15/h3,6-10,12,15H,4-5,11H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide?
N-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 17441796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).