N-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide

C18H25NO4 — CID 111115760

IUPACN-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1c(C)oc2ccc(OC)cc12
InChIInChI=1S/C18H25NO4/c1-5-12(6-2)15(20)10-19-18(21)17-11(3)23-16-8-7-13(22-4)9-14(16)17/h7-9,12,15,20H,5-6,10H2,1-4H3,(H,19,21)
InChIKeyZJYVHYNVVVDERO-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.28
Rot. Bonds7

About N-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide

N-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 111115760) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
PubChem CID111115760
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1c(C)oc2ccc(OC)cc12
InChIInChI=1S/C18H25NO4/c1-5-12(6-2)15(20)10-19-18(21)17-11(3)23-16-8-7-13(22-4)9-14(16)17/h7-9,12,15,20H,5-6,10H2,1-4H3,(H,19,21)
InChIKeyZJYVHYNVVVDERO-UHFFFAOYSA-N
XLogP3.28
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 110899118
N-[(1-hydroxycyclopentyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111331196
N-(3-hydroxy-3-phenylpropyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111471937
4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]butanoic acid
CID 13415654
N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide
CID 103658335
2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid
CID 82043387
2-bromo-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzamide
CID 111115894
N-[(2-chlorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 51065486
N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 139003783
2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide
CID 106284093
5-methoxy-2-methyl-N-(3-methylphenyl)-1-benzofuran-3-carboxamide
CID 51065526
N-[[4-(carbamoylamino)phenyl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 55910440

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide (CID 111115760) is N-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide is CCC(CC)C(O)CNC(=O)c1c(C)oc2ccc(OC)cc12.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is ZJYVHYNVVVDERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-5-12(6-2)15(20)10-19-18(21)17-11(3)23-16-8-7-13(22-4)9-14(16)17/h7-9,12,15,20H,5-6,10H2,1-4H3,(H,19,21).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
N-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 111115760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).