2-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]hexanamide

C18H25NO2 — CID 82747365

IUPAC2-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]hexanamide
SMILESCCCCC(CC)C(=O)Nc1cc(C)ccc1C#CCO
InChIInChI=1S/C18H25NO2/c1-4-6-8-15(5-2)18(21)19-17-13-14(3)10-11-16(17)9-7-12-20/h10-11,13,15,20H,4-6,8,12H2,1-3H3,(H,19,21)
InChIKeyQWXWMYHHQURWCP-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.49
Rot. Bonds6

About 2-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]hexanamide

2-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]hexanamide (PubChem CID 82747365) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]hexanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]hexanamide
PubChem CID82747365
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]hexanamide
SMILESCCCCC(CC)C(=O)Nc1cc(C)ccc1C#CCO
InChIInChI=1S/C18H25NO2/c1-4-6-8-15(5-2)18(21)19-17-13-14(3)10-11-16(17)9-7-12-20/h10-11,13,15,20H,4-6,8,12H2,1-3H3,(H,19,21)
InChIKeyQWXWMYHHQURWCP-UHFFFAOYSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]hexanamide 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-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylbutanamide
CID 82766895
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylpropanamide
CID 82767041
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]octanamide
CID 82746747
1-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-propan-2-ylurea
CID 82766205
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpentanamide
CID 114875840
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide
CID 82766423
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxy-2-methylpropanamide
CID 103021924
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylpropanamide
CID 60803475
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxyacetamide
CID 82766739
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methyl-2-methylsulfonylpropanamide
CID 82746543
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]cyclobutanecarboxamide
CID 82767269
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyrrolidine-1-carboxamide
CID 82766359

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]hexanamide?
The IUPAC name of 2-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]hexanamide (CID 82747365) is 2-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]hexanamide.
What is the SMILES notation for 2-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]hexanamide?
The canonical SMILES for 2-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]hexanamide is CCCCC(CC)C(=O)Nc1cc(C)ccc1C#CCO.
What is the InChIKey of 2-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]hexanamide?
The InChIKey is QWXWMYHHQURWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-4-6-8-15(5-2)18(21)19-17-13-14(3)10-11-16(17)9-7-12-20/h10-11,13,15,20H,4-6,8,12H2,1-3H3,(H,19,21).
What are the key properties of 2-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]hexanamide?
2-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]hexanamide has a molecular weight of 287.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]hexanamide is sourced from PubChem (CID 82747365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).