N-[2-(4-tert-butylphenoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

C20H28N2O3 — CID 31974696

IUPACN-[2-(4-tert-butylphenoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(C)c1CCC(=O)NCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H28N2O3/c1-14-18(15(2)25-22-14)10-11-19(23)21-12-13-24-17-8-6-16(7-9-17)20(3,4)5/h6-9H,10-13H2,1-5H3,(H,21,23)
InChIKeyJGJFLPGMXKWXNM-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.72
Rot. Bonds7

About N-[2-(4-tert-butylphenoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

N-[2-(4-tert-butylphenoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (PubChem CID 31974696) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
PubChem CID31974696
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(C)c1CCC(=O)NCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H28N2O3/c1-14-18(15(2)25-22-14)10-11-19(23)21-12-13-24-17-8-6-16(7-9-17)20(3,4)5/h6-9H,10-13H2,1-5H3,(H,21,23)
InChIKeyJGJFLPGMXKWXNM-UHFFFAOYSA-N
XLogP3.72
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(4-tert-butylphenoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide 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

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18132053
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 86985319
4-(4-tert-butylphenoxy)-1-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]butan-1-one
CID 86877441
N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 108572968
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide
CID 111110980
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 18119234
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-phenoxyethyl)urea
CID 47863203
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide
CID 111481535
methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-2-methylpropanoate
CID 71247972
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]propanamide
CID 122315502
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyridin-2-ylsulfanylethyl)propanamide
CID 74236898
2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-3-(4-ethoxyphenyl)propanoic acid
CID 119232145

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (CID 31974696) is N-[2-(4-tert-butylphenoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is Cc1noc(C)c1CCC(=O)NCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The InChIKey is JGJFLPGMXKWXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14-18(15(2)25-22-14)10-11-19(23)21-12-13-24-17-8-6-16(7-9-17)20(3,4)5/h6-9H,10-13H2,1-5H3,(H,21,23).
What are the key properties of N-[2-(4-tert-butylphenoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
N-[2-(4-tert-butylphenoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 344.46 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 31974696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).