N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C17H21NO2 — CID 66475991

IUPACN-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2ccccc2C#CCO)C1(C)C
InChIInChI=1S/C17H21NO2/c1-16(2)14(17(16,3)4)15(20)18-13-10-6-5-8-12(13)9-7-11-19/h5-6,8,10,14,19H,11H2,1-4H3,(H,18,20)
InChIKeyUYVSDXQYRDCDTH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.65
Rot. Bonds2

About N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 66475991) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID66475991
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2ccccc2C#CCO)C1(C)C
InChIInChI=1S/C17H21NO2/c1-16(2)14(17(16,3)4)15(20)18-13-10-6-5-8-12(13)9-7-11-19/h5-6,8,10,14,19H,11H2,1-4H3,(H,18,20)
InChIKeyUYVSDXQYRDCDTH-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-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

Related Compounds

N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181267
[2-(3-hydroxyprop-1-ynyl)phenyl]urea
CID 60803594
N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60800142
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 60800316
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 60803097
N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide
CID 60800145
N-[2-(3-hydroxyprop-1-ynyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 60802196
N-(2-ethylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 71620607
4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60802926
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 79163303
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
CID 60802229
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3-methylpiperidine-1-carboxamide
CID 79163125

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 66475991) is N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC1(C)C(C(=O)Nc2ccccc2C#CCO)C1(C)C.
What is the InChIKey of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is UYVSDXQYRDCDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-16(2)14(17(16,3)4)15(20)18-13-10-6-5-8-12(13)9-7-11-19/h5-6,8,10,14,19H,11H2,1-4H3,(H,18,20).
What are the key properties of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 66475991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).