N-(3-ethynylphenyl)-2-(4-propan-2-ylphenoxy)acetamide

C19H19NO2 — CID 46420198

IUPACN-(3-ethynylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESC#Cc1cccc(NC(=O)COc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C19H19NO2/c1-4-15-6-5-7-17(12-15)20-19(21)13-22-18-10-8-16(9-11-18)14(2)3/h1,5-12,14H,13H2,2-3H3,(H,20,21)
InChIKeyBZIRBWRGVMTOCQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.81
Rot. Bonds5

About N-(3-ethynylphenyl)-2-(4-propan-2-ylphenoxy)acetamide

N-(3-ethynylphenyl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 46420198) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(3-ethynylphenyl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-ethynylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID46420198
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC NameN-(3-ethynylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESC#Cc1cccc(NC(=O)COc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C19H19NO2/c1-4-15-6-5-7-17(12-15)20-19(21)13-22-18-10-8-16(9-11-18)14(2)3/h1,5-12,14H,13H2,2-3H3,(H,20,21)
InChIKeyBZIRBWRGVMTOCQ-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-ethynylphenyl)-2-(4-propan-2-ylphenoxy)acetamide 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-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 798498
2-(3-bromophenoxy)-N-(3-ethynylphenyl)acetamide
CID 46584991
N-(3-carbamothioylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 39158644
N-(3-chlorophenyl)-2-[4-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63364131
4-[[3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 17296397
N-(3-ethynylphenyl)-2-[[2-(4-propanoylphenoxy)acetyl]amino]acetamide
CID 55836547
2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 63364236
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1320918
N-(4-iodo-3,5-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 17336026
N-[3-(1,3-dithian-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 27843194
2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 759062
N-(2,3-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1226590

Frequently Asked Questions

What is the IUPAC name of N-(3-ethynylphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(3-ethynylphenyl)-2-(4-propan-2-ylphenoxy)acetamide (CID 46420198) is N-(3-ethynylphenyl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(3-ethynylphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(3-ethynylphenyl)-2-(4-propan-2-ylphenoxy)acetamide is C#Cc1cccc(NC(=O)COc2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-(3-ethynylphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is BZIRBWRGVMTOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-4-15-6-5-7-17(12-15)20-19(21)13-22-18-10-8-16(9-11-18)14(2)3/h1,5-12,14H,13H2,2-3H3,(H,20,21).
What are the key properties of N-(3-ethynylphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(3-ethynylphenyl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 293.37 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethynylphenyl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 46420198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).