2,2-dimethyl-N-(7-oxoazepan-4-yl)-3H-1-benzofuran-5-carboxamide

C17H22N2O3 — CID 138002572

IUPAC2,2-dimethyl-N-(7-oxoazepan-4-yl)-3H-1-benzofuran-5-carboxamide
SMILESCC1(C)Cc2cc(C(=O)NC3CCNC(=O)CC3)ccc2O1
InChIInChI=1S/C17H22N2O3/c1-17(2)10-12-9-11(3-5-14(12)22-17)16(21)19-13-4-6-15(20)18-8-7-13/h3,5,9,13H,4,6-8,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyRJSTZBDWNMLHSL-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.80
Rot. Bonds2

About 2,2-dimethyl-N-(7-oxoazepan-4-yl)-3H-1-benzofuran-5-carboxamide

2,2-dimethyl-N-(7-oxoazepan-4-yl)-3H-1-benzofuran-5-carboxamide (PubChem CID 138002572) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-(7-oxoazepan-4-yl)-3H-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(7-oxoazepan-4-yl)-3H-1-benzofuran-5-carboxamide
PubChem CID138002572
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2,2-dimethyl-N-(7-oxoazepan-4-yl)-3H-1-benzofuran-5-carboxamide
SMILESCC1(C)Cc2cc(C(=O)NC3CCNC(=O)CC3)ccc2O1
InChIInChI=1S/C17H22N2O3/c1-17(2)10-12-9-11(3-5-14(12)22-17)16(21)19-13-4-6-15(20)18-8-7-13/h3,5,9,13H,4,6-8,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyRJSTZBDWNMLHSL-UHFFFAOYSA-N
XLogP1.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793143
methyl 2,2-dimethyl-3H-1-benzofuran-5-carboxylate
CID 15284749
(2,2-dimethyl-3H-1-benzofuran-5-yl)-piperidin-2-ylmethanone
CID 64866818
3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662752
4-methyl-2-oxo-N-(7-oxoazepan-4-yl)-1H-pyridine-3-carboxamide
CID 138036113
(2R)-2-[(2-fluorophenyl)methyl]-2-methyl-N-(oxan-4-yl)-3H-1-benzofuran-5-carboxamide
CID 125015928
3-methyl-N-(2-oxopiperidin-4-yl)benzamide
CID 112534523
3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-carbonyl)amino]ethyldisulfanyl]propanoic acid
CID 166422501
N-cyclopropyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142413
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2,2-trifluoroethanone
CID 81429341
2-(2,2-difluoroethoxy)-N-(7-oxoazepan-4-yl)pyridine-4-carboxamide
CID 167781525

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(7-oxoazepan-4-yl)-3H-1-benzofuran-5-carboxamide?
The IUPAC name of 2,2-dimethyl-N-(7-oxoazepan-4-yl)-3H-1-benzofuran-5-carboxamide (CID 138002572) is 2,2-dimethyl-N-(7-oxoazepan-4-yl)-3H-1-benzofuran-5-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-(7-oxoazepan-4-yl)-3H-1-benzofuran-5-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-(7-oxoazepan-4-yl)-3H-1-benzofuran-5-carboxamide is CC1(C)Cc2cc(C(=O)NC3CCNC(=O)CC3)ccc2O1.
What is the InChIKey of 2,2-dimethyl-N-(7-oxoazepan-4-yl)-3H-1-benzofuran-5-carboxamide?
The InChIKey is RJSTZBDWNMLHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-17(2)10-12-9-11(3-5-14(12)22-17)16(21)19-13-4-6-15(20)18-8-7-13/h3,5,9,13H,4,6-8,10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2,2-dimethyl-N-(7-oxoazepan-4-yl)-3H-1-benzofuran-5-carboxamide?
2,2-dimethyl-N-(7-oxoazepan-4-yl)-3H-1-benzofuran-5-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(7-oxoazepan-4-yl)-3H-1-benzofuran-5-carboxamide is sourced from PubChem (CID 138002572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).