N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide

C15H21NO3 — CID 103946095

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H21NO3/c1-3-15(2,7-8-17)16-14(18)12-4-5-13-11(10-12)6-9-19-13/h4-5,10,17H,3,6-9H2,1-2H3,(H,16,18)
InChIKeySAAWURCUSWOFDB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.90
Rot. Bonds5

About N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 103946095) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID103946095
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H21NO3/c1-3-15(2,7-8-17)16-14(18)12-4-5-13-11(10-12)6-9-19-13/h4-5,10,17H,3,6-9H2,1-2H3,(H,16,18)
InChIKeySAAWURCUSWOFDB-UHFFFAOYSA-N
XLogP1.90
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide
CID 110002452
N-(3-carbamothioylpentan-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62199395
2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 61261538
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113295192
4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164060
N-(3,3-dimethyl-2-oxobutyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 64992032
N-[2-(chloromethyl)-2-ethylbutyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 106253171
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515
N-(1-hydroxy-3-methylpentan-3-yl)-3-sulfanylbenzamide
CID 114153832
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 65312218
2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylbutan-1-one
CID 116592719

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 103946095) is N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide is CCC(C)(CCO)NC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is SAAWURCUSWOFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-15(2,7-8-17)16-14(18)12-4-5-13-11(10-12)6-9-19-13/h4-5,10,17H,3,6-9H2,1-2H3,(H,16,18).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 103946095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).