N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide

C15H17NO3 — CID 115878297

IUPACN-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2(CO)CCC2)oc2ccccc12
InChIInChI=1S/C15H17NO3/c1-10-11-5-2-3-6-12(11)19-13(10)14(18)16-15(9-17)7-4-8-15/h2-3,5-6,17H,4,7-9H2,1H3,(H,16,18)
InChIKeyQCMHAXDCSPHPNA-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.39
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide

N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 115878297) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID115878297
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2(CO)CCC2)oc2ccccc12
InChIInChI=1S/C15H17NO3/c1-10-11-5-2-3-6-12(11)19-13(10)14(18)16-15(9-17)7-4-8-15/h2-3,5-6,17H,4,7-9H2,1H3,(H,16,18)
InChIKeyQCMHAXDCSPHPNA-UHFFFAOYSA-N
XLogP2.39
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide
CID 115877896
1-[(3-methyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43351135
N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 119058773
3-methyl-N-[(1-phenylcyclopropyl)methyl]-1-benzofuran-2-carboxamide
CID 16602422
(2R)-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 54990569
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 43357642
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
N-[1-(hydroxymethyl)cyclobutyl]-5-methylfuran-2-carboxamide
CID 115877897
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 110902400
2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid
CID 108793560
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 8919323
(2R)-4-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 107822987

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide (CID 115878297) is N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC2(CO)CCC2)oc2ccccc12.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is QCMHAXDCSPHPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10-11-5-2-3-6-12(11)19-13(10)14(18)16-15(9-17)7-4-8-15/h2-3,5-6,17H,4,7-9H2,1H3,(H,16,18).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 259.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 115878297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).