2-phenoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide

C20H25NO2 — CID 133220210

IUPAC2-phenoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide
SMILESCc1cc(C)c(C(C)NC(=O)C(C)Oc2ccccc2)cc1C
InChIInChI=1S/C20H25NO2/c1-13-11-15(3)19(12-14(13)2)16(4)21-20(22)17(5)23-18-9-7-6-8-10-18/h6-12,16-17H,1-5H3,(H,21,22)
InChIKeyKSRCKMFVYCRXOX-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.26
Rot. Bonds5

About 2-phenoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide

2-phenoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide (PubChem CID 133220210) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-phenoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-phenoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide
PubChem CID133220210
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-phenoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide
SMILESCc1cc(C)c(C(C)NC(=O)C(C)Oc2ccccc2)cc1C
InChIInChI=1S/C20H25NO2/c1-13-11-15(3)19(12-14(13)2)16(4)21-20(22)17(5)23-18-9-7-6-8-10-18/h6-12,16-17H,1-5H3,(H,21,22)
InChIKeyKSRCKMFVYCRXOX-UHFFFAOYSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide
CID 94843687
(2S)-2-phenoxy-N-[(1S)-1-phenylethyl]propanamide
CID 835918
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 30398925
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 133186528
2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402629
(2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenoxypropanamide
CID 29183103
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 17169390
2-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 133144163
2-(3,5-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133199746
2-(2-phenoxypropanoylamino)propanoic acid
CID 43092023
(2R)-2-(4-bromophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 94843709
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 99130938

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The IUPAC name of 2-phenoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide (CID 133220210) is 2-phenoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-phenoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The canonical SMILES for 2-phenoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide is Cc1cc(C)c(C(C)NC(=O)C(C)Oc2ccccc2)cc1C.
What is the InChIKey of 2-phenoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The InChIKey is KSRCKMFVYCRXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-13-11-15(3)19(12-14(13)2)16(4)21-20(22)17(5)23-18-9-7-6-8-10-18/h6-12,16-17H,1-5H3,(H,21,22).
What are the key properties of 2-phenoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide?
2-phenoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide has a molecular weight of 311.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 133220210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).