N-[3-(4-acetylphenyl)prop-2-ynyl]-2-phenoxypropanamide

C20H19NO3 — CID 90549528

IUPACN-[3-(4-acetylphenyl)prop-2-ynyl]-2-phenoxypropanamide
SMILESCC(=O)c1ccc(C#CCNC(=O)C(C)Oc2ccccc2)cc1
InChIInChI=1S/C20H19NO3/c1-15(22)18-12-10-17(11-13-18)7-6-14-21-20(23)16(2)24-19-8-4-3-5-9-19/h3-5,8-13,16H,14H2,1-2H3,(H,21,23)
InChIKeyGAZGVCINRBZCLT-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.82
Rot. Bonds5

About N-[3-(4-acetylphenyl)prop-2-ynyl]-2-phenoxypropanamide

N-[3-(4-acetylphenyl)prop-2-ynyl]-2-phenoxypropanamide (PubChem CID 90549528) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[3-(4-acetylphenyl)prop-2-ynyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[3-(4-acetylphenyl)prop-2-ynyl]-2-phenoxypropanamide
PubChem CID90549528
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC NameN-[3-(4-acetylphenyl)prop-2-ynyl]-2-phenoxypropanamide
SMILESCC(=O)c1ccc(C#CCNC(=O)C(C)Oc2ccccc2)cc1
InChIInChI=1S/C20H19NO3/c1-15(22)18-12-10-17(11-13-18)7-6-14-21-20(23)16(2)24-19-8-4-3-5-9-19/h3-5,8-13,16H,14H2,1-2H3,(H,21,23)
InChIKeyGAZGVCINRBZCLT-UHFFFAOYSA-N
XLogP2.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(4-acetylphenyl)prop-2-ynyl]-2-phenoxypropanamide 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

(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-ethyl-2-phenoxypropanamide
CID 4282518
2-(4-acetylphenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 17399319
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
3-(2-phenoxypropanoylamino)propanoic acid
CID 43092387
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
2-(3-acetylphenoxy)-N-(2-phenylpropyl)propanamide
CID 51141698
2-(4-acetylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4879204
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
N-[(2-hydroxyphenyl)methyl]-2-phenoxypropanamide
CID 60607631
(2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide
CID 31790666
(2R)-2-phenoxy-N-(3-propan-2-yloxypropyl)propanamide
CID 2227382

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylphenyl)prop-2-ynyl]-2-phenoxypropanamide?
The IUPAC name of N-[3-(4-acetylphenyl)prop-2-ynyl]-2-phenoxypropanamide (CID 90549528) is N-[3-(4-acetylphenyl)prop-2-ynyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[3-(4-acetylphenyl)prop-2-ynyl]-2-phenoxypropanamide?
The canonical SMILES for N-[3-(4-acetylphenyl)prop-2-ynyl]-2-phenoxypropanamide is CC(=O)c1ccc(C#CCNC(=O)C(C)Oc2ccccc2)cc1.
What is the InChIKey of N-[3-(4-acetylphenyl)prop-2-ynyl]-2-phenoxypropanamide?
The InChIKey is GAZGVCINRBZCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-15(22)18-12-10-17(11-13-18)7-6-14-21-20(23)16(2)24-19-8-4-3-5-9-19/h3-5,8-13,16H,14H2,1-2H3,(H,21,23).
What are the key properties of N-[3-(4-acetylphenyl)prop-2-ynyl]-2-phenoxypropanamide?
N-[3-(4-acetylphenyl)prop-2-ynyl]-2-phenoxypropanamide has a molecular weight of 321.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylphenyl)prop-2-ynyl]-2-phenoxypropanamide is sourced from PubChem (CID 90549528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).