N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1-benzofuran-3-carboxamide

C16H19NO3 — CID 115760134

IUPACN-[(1-hydroxycyclopentyl)methyl]-N-methyl-1-benzofuran-3-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)c1coc2ccccc12
InChIInChI=1S/C16H19NO3/c1-17(11-16(19)8-4-5-9-16)15(18)13-10-20-14-7-3-2-6-12(13)14/h2-3,6-7,10,19H,4-5,8-9,11H2,1H3
InChIKeyCMICQOJDYZCCBU-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.81
Rot. Bonds3

About N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1-benzofuran-3-carboxamide

N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 115760134) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-N-methyl-1-benzofuran-3-carboxamide
PubChem CID115760134
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-N-methyl-1-benzofuran-3-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)c1coc2ccccc12
InChIInChI=1S/C16H19NO3/c1-17(11-16(19)8-4-5-9-16)15(18)13-10-20-14-7-3-2-6-12(13)14/h2-3,6-7,10,19H,4-5,8-9,11H2,1H3
InChIKeyCMICQOJDYZCCBU-UHFFFAOYSA-N
XLogP2.81
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-benzofuran-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 120539512
N-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-3-carboxamide
CID 106627688
N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-3-carboxamide
CID 115760185
3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 115759781
3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 114946671
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide
CID 115456089
1-benzofuran-3-yl-(1-methylcyclopropyl)methanone
CID 164656337
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 115760603
N-[[1-(bromomethyl)cyclopentyl]methyl]-1-benzofuran-3-carboxamide
CID 115364391
1-(1-benzofuran-3-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43794594
4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide
CID 115869317
N-ethyl-N-prop-2-ynyl-1-benzofuran-3-carboxamide
CID 78959159

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1-benzofuran-3-carboxamide (CID 115760134) is N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1-benzofuran-3-carboxamide is CN(CC1(O)CCCC1)C(=O)c1coc2ccccc12.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is CMICQOJDYZCCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-17(11-16(19)8-4-5-9-16)15(18)13-10-20-14-7-3-2-6-12(13)14/h2-3,6-7,10,19H,4-5,8-9,11H2,1H3.
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1-benzofuran-3-carboxamide?
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 115760134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).