N-(3-hydroxy-4-methylpentyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide

C19H27NO4 — CID 111461048

IUPACN-(3-hydroxy-4-methylpentyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
SMILESCC(C)OCc1c(C(=O)NCCC(O)C(C)C)oc2ccccc12
InChIInChI=1S/C19H27NO4/c1-12(2)16(21)9-10-20-19(22)18-15(11-23-13(3)4)14-7-5-6-8-17(14)24-18/h5-8,12-13,16,21H,9-11H2,1-4H3,(H,20,22)
InChIKeyFANLJUDZRQKLHI-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.49
Rot. Bonds8

About N-(3-hydroxy-4-methylpentyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide

N-(3-hydroxy-4-methylpentyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 111461048) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
PubChem CID111461048
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC NameN-(3-hydroxy-4-methylpentyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
SMILESCC(C)OCc1c(C(=O)NCCC(O)C(C)C)oc2ccccc12
InChIInChI=1S/C19H27NO4/c1-12(2)16(21)9-10-20-19(22)18-15(11-23-13(3)4)14-7-5-6-8-17(14)24-18/h5-8,12-13,16,21H,9-11H2,1-4H3,(H,20,22)
InChIKeyFANLJUDZRQKLHI-UHFFFAOYSA-N
XLogP3.49
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxybutyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 111433556
N-(4-hydroxycyclohexyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 110877068
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 86935833
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 86878976
3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9089939
3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
CID 51172700
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 86968449
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 87005293
N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 119430694
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 86941653

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylpentyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide (CID 111461048) is N-(3-hydroxy-4-methylpentyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide is CC(C)OCc1c(C(=O)NCCC(O)C(C)C)oc2ccccc12.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is FANLJUDZRQKLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-12(2)16(21)9-10-20-19(22)18-15(11-23-13(3)4)14-7-5-6-8-17(14)24-18/h5-8,12-13,16,21H,9-11H2,1-4H3,(H,20,22).
What are the key properties of N-(3-hydroxy-4-methylpentyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
N-(3-hydroxy-4-methylpentyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylpentyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111461048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).