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

C19H25NO4 — CID 110877068

IUPACN-(4-hydroxycyclohexyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
SMILESCC(C)OCc1c(C(=O)NC2CCC(O)CC2)oc2ccccc12
InChIInChI=1S/C19H25NO4/c1-12(2)23-11-16-15-5-3-4-6-17(15)24-18(16)19(22)20-13-7-9-14(21)10-8-13/h3-6,12-14,21H,7-11H2,1-2H3,(H,20,22)
InChIKeyNGCAYKCQGZZHFV-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.39
Rot. Bonds5

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

N-(4-hydroxycyclohexyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 110877068) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
PubChem CID110877068
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC NameN-(4-hydroxycyclohexyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
SMILESCC(C)OCc1c(C(=O)NC2CCC(O)CC2)oc2ccccc12
InChIInChI=1S/C19H25NO4/c1-12(2)23-11-16-15-5-3-4-6-17(15)24-18(16)19(22)20-13-7-9-14(21)10-8-13/h3-6,12-14,21H,7-11H2,1-2H3,(H,20,22)
InChIKeyNGCAYKCQGZZHFV-UHFFFAOYSA-N
XLogP3.39
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.39
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-(3-hydroxy-4-methylpentyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 111461048
3-(cyclohexylsulfanylmethyl)-N-cyclopropyl-1-benzofuran-2-carboxamide
CID 17476804
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 87005293
N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 86941653
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 86882469
N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 86935833
N-(2-methylpiperidin-4-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 120602574
1-(4-methylpiperazin-1-yl)-2-[1-[3-(propan-2-yloxymethyl)-1-benzofuran-2-carbonyl]piperidin-4-yl]ethanone
CID 86903032
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 86968449
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
N-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119478417

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide (CID 110877068) is N-(4-hydroxycyclohexyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide is CC(C)OCc1c(C(=O)NC2CCC(O)CC2)oc2ccccc12.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is NGCAYKCQGZZHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-12(2)23-11-16-15-5-3-4-6-17(15)24-18(16)19(22)20-13-7-9-14(21)10-8-13/h3-6,12-14,21H,7-11H2,1-2H3,(H,20,22).
What are the key properties of N-(4-hydroxycyclohexyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?
N-(4-hydroxycyclohexyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 331.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 110877068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).