N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide

C18H21NO2 — CID 5227207

IUPACN-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
SMILESCc1ccc(OCCNC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-15-7-10-17(11-8-15)21-14-13-19-18(20)12-9-16-5-3-2-4-6-16/h2-8,10-11H,9,12-14H2,1H3,(H,19,20)
InChIKeyCLCKGWZMNZZFTA-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.12
Rot. Bonds7

About N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide

N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide (PubChem CID 5227207) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
PubChem CID5227207
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
SMILESCc1ccc(OCCNC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-15-7-10-17(11-8-15)21-14-13-19-18(20)12-9-16-5-3-2-4-6-16/h2-8,10-11H,9,12-14H2,1H3,(H,19,20)
InChIKeyCLCKGWZMNZZFTA-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide
CID 10803968
3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide
CID 108542327
N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide
CID 84816880
4-[3-[3-(4-methylphenoxy)propylamino]-3-oxopropyl]benzoic acid
CID 119182918
N-[2-(4-methylphenoxy)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 38449360
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropanamide
CID 113103062
N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide
CID 600522
4-[2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22682762
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide
CID 18111151
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide (CID 5227207) is N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide is Cc1ccc(OCCNC(=O)CCc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide?
The InChIKey is CLCKGWZMNZZFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-15-7-10-17(11-8-15)21-14-13-19-18(20)12-9-16-5-3-2-4-6-16/h2-8,10-11H,9,12-14H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide?
N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide has a molecular weight of 283.37 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 5227207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).