N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclopentane-1-carboxamide

C18H23NO2 — CID 81287490

IUPACN-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclopentane-1-carboxamide
SMILESCCc1cc(C#CCO)ccc1NC(=O)C1(C)CCCC1
InChIInChI=1S/C18H23NO2/c1-3-15-13-14(7-6-12-20)8-9-16(15)19-17(21)18(2)10-4-5-11-18/h8-9,13,20H,3-5,10-12H2,1-2H3,(H,19,21)
InChIKeyJNUMVAMWDWBXKD-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.11
Rot. Bonds3

About N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclopentane-1-carboxamide

N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclopentane-1-carboxamide (PubChem CID 81287490) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclopentane-1-carboxamide
PubChem CID81287490
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclopentane-1-carboxamide
SMILESCCc1cc(C#CCO)ccc1NC(=O)C1(C)CCCC1
InChIInChI=1S/C18H23NO2/c1-3-15-13-14(7-6-12-20)8-9-16(15)19-17(21)18(2)10-4-5-11-18/h8-9,13,20H,3-5,10-12H2,1-2H3,(H,19,21)
InChIKeyJNUMVAMWDWBXKD-UHFFFAOYSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclopentane-1-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-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclopentane-1-carboxamide (CID 81287490) is N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclopentane-1-carboxamide is CCc1cc(C#CCO)ccc1NC(=O)C1(C)CCCC1.
What is the InChIKey of N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclopentane-1-carboxamide?
The InChIKey is JNUMVAMWDWBXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-15-13-14(7-6-12-20)8-9-16(15)19-17(21)18(2)10-4-5-11-18/h8-9,13,20H,3-5,10-12H2,1-2H3,(H,19,21).
What are the key properties of N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclopentane-1-carboxamide?
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclopentane-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 81287490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).