N-(3-hydroxybutyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide

C17H23NO4 — CID 111433556

IUPACN-(3-hydroxybutyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
SMILESCC(O)CCNC(=O)c1oc2ccccc2c1COC(C)C
InChIInChI=1S/C17H23NO4/c1-11(2)21-10-14-13-6-4-5-7-15(13)22-16(14)17(20)18-9-8-12(3)19/h4-7,11-12,19H,8-10H2,1-3H3,(H,18,20)
InChIKeyRTKXZSJARZPBIB-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.86
Rot. Bonds7

About N-(3-hydroxybutyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide

N-(3-hydroxybutyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 111433556) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
PubChem CID111433556
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC NameN-(3-hydroxybutyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
SMILESCC(O)CCNC(=O)c1oc2ccccc2c1COC(C)C
InChIInChI=1S/C17H23NO4/c1-11(2)21-10-14-13-6-4-5-7-15(13)22-16(14)17(20)18-9-8-12(3)19/h4-7,11-12,19H,8-10H2,1-3H3,(H,18,20)
InChIKeyRTKXZSJARZPBIB-UHFFFAOYSA-N
XLogP2.86
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-4-methylpentyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 111461048
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-hydroxybutyl)-4-methyl-2-oxochromene-3-carboxamide
CID 111840756
N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 119430694
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide (CID 111433556) is N-(3-hydroxybutyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide is CC(O)CCNC(=O)c1oc2ccccc2c1COC(C)C.
What is the InChIKey of N-(3-hydroxybutyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is RTKXZSJARZPBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-11(2)21-10-14-13-6-4-5-7-15(13)22-16(14)17(20)18-9-8-12(3)19/h4-7,11-12,19H,8-10H2,1-3H3,(H,18,20).
What are the key properties of N-(3-hydroxybutyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
N-(3-hydroxybutyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 305.37 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111433556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).