N-(3-hydroxybutyl)-5,6-dimethyl-1-benzofuran-2-carboxamide

C15H19NO3 — CID 111470191

IUPACN-(3-hydroxybutyl)-5,6-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1cc2cc(C(=O)NCCC(C)O)oc2cc1C
InChIInChI=1S/C15H19NO3/c1-9-6-12-8-14(19-13(12)7-10(9)2)15(18)16-5-4-11(3)17/h6-8,11,17H,4-5H2,1-3H3,(H,16,18)
InChIKeyLXYRJDRXQROXGD-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.55
Rot. Bonds4

About N-(3-hydroxybutyl)-5,6-dimethyl-1-benzofuran-2-carboxamide

N-(3-hydroxybutyl)-5,6-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 111470191) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-5,6-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-5,6-dimethyl-1-benzofuran-2-carboxamide
PubChem CID111470191
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-(3-hydroxybutyl)-5,6-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1cc2cc(C(=O)NCCC(C)O)oc2cc1C
InChIInChI=1S/C15H19NO3/c1-9-6-12-8-14(19-13(12)7-10(9)2)15(18)16-5-4-11(3)17/h6-8,11,17H,4-5H2,1-3H3,(H,16,18)
InChIKeyLXYRJDRXQROXGD-UHFFFAOYSA-N
XLogP2.55
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 113272749
7-chloro-N-(3-hydroxybutyl)-1-benzofuran-2-carboxamide
CID 111970426
2-[(5,6-dimethyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 119224238
N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride
CID 119494957
N-(1-amino-2,3-dimethylbutan-2-yl)-5,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119605826
2-[(5,6-dimethyl-1-benzofuran-2-carbonyl)amino]-2-methylbutanoic acid
CID 119199838
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-5,6-dimethyl-1-benzofuran-2-carboxamide
CID 111477459
5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 107211116
methyl 5,6-dimethyl-1-benzofuran-2-carboxylate
CID 23271204
N-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide
CID 103771495
N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide
CID 107300405
2-(3-hydroxybutylcarbamoyl)-3,6-dimethylbenzoic acid
CID 103429122

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-5,6-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-5,6-dimethyl-1-benzofuran-2-carboxamide (CID 111470191) is N-(3-hydroxybutyl)-5,6-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-5,6-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-5,6-dimethyl-1-benzofuran-2-carboxamide is Cc1cc2cc(C(=O)NCCC(C)O)oc2cc1C.
What is the InChIKey of N-(3-hydroxybutyl)-5,6-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is LXYRJDRXQROXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9-6-12-8-14(19-13(12)7-10(9)2)15(18)16-5-4-11(3)17/h6-8,11,17H,4-5H2,1-3H3,(H,16,18).
What are the key properties of N-(3-hydroxybutyl)-5,6-dimethyl-1-benzofuran-2-carboxamide?
N-(3-hydroxybutyl)-5,6-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-5,6-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111470191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).