N-ethyl-N-(4-hydroxybutyl)-2-methyl-1-benzofuran-5-carboxamide

C16H21NO3 — CID 77096347

IUPACN-ethyl-N-(4-hydroxybutyl)-2-methyl-1-benzofuran-5-carboxamide
SMILESCCN(CCCCO)C(=O)c1ccc2oc(C)cc2c1
InChIInChI=1S/C16H21NO3/c1-3-17(8-4-5-9-18)16(19)13-6-7-15-14(11-13)10-12(2)20-15/h6-7,10-11,18H,3-5,8-9H2,1-2H3
InChIKeyKDNZLFAGZRBWRS-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.98
Rot. Bonds6

About N-ethyl-N-(4-hydroxybutyl)-2-methyl-1-benzofuran-5-carboxamide

N-ethyl-N-(4-hydroxybutyl)-2-methyl-1-benzofuran-5-carboxamide (PubChem CID 77096347) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-ethyl-N-(4-hydroxybutyl)-2-methyl-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(4-hydroxybutyl)-2-methyl-1-benzofuran-5-carboxamide
PubChem CID77096347
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-ethyl-N-(4-hydroxybutyl)-2-methyl-1-benzofuran-5-carboxamide
SMILESCCN(CCCCO)C(=O)c1ccc2oc(C)cc2c1
InChIInChI=1S/C16H21NO3/c1-3-17(8-4-5-9-18)16(19)13-6-7-15-14(11-13)10-12(2)20-15/h6-7,10-11,18H,3-5,8-9H2,1-2H3
InChIKeyKDNZLFAGZRBWRS-UHFFFAOYSA-N
XLogP2.98
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-ethyl-N-(4-hydroxybutyl)-2-methyl-1-benzofuran-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-hydroxybutyl)-2-methyl-1-benzofuran-5-carboxamide?
The IUPAC name of N-ethyl-N-(4-hydroxybutyl)-2-methyl-1-benzofuran-5-carboxamide (CID 77096347) is N-ethyl-N-(4-hydroxybutyl)-2-methyl-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-ethyl-N-(4-hydroxybutyl)-2-methyl-1-benzofuran-5-carboxamide?
The canonical SMILES for N-ethyl-N-(4-hydroxybutyl)-2-methyl-1-benzofuran-5-carboxamide is CCN(CCCCO)C(=O)c1ccc2oc(C)cc2c1.
What is the InChIKey of N-ethyl-N-(4-hydroxybutyl)-2-methyl-1-benzofuran-5-carboxamide?
The InChIKey is KDNZLFAGZRBWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-17(8-4-5-9-18)16(19)13-6-7-15-14(11-13)10-12(2)20-15/h6-7,10-11,18H,3-5,8-9H2,1-2H3.
What are the key properties of N-ethyl-N-(4-hydroxybutyl)-2-methyl-1-benzofuran-5-carboxamide?
N-ethyl-N-(4-hydroxybutyl)-2-methyl-1-benzofuran-5-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-hydroxybutyl)-2-methyl-1-benzofuran-5-carboxamide is sourced from PubChem (CID 77096347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).