3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide

C19H23NO2 — CID 27259732

IUPAC3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCOc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H23NO2/c1-14-5-8-17(9-6-14)13-20-19(21)10-11-22-18-12-15(2)4-7-16(18)3/h4-9,12H,10-11,13H2,1-3H3,(H,20,21)
InChIKeyCBZQNBCMGJWMPH-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.70
Rot. Bonds6

About 3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide

3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 27259732) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID27259732
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCOc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H23NO2/c1-14-5-8-17(9-6-14)13-20-19(21)10-11-22-18-12-15(2)4-7-16(18)3/h4-9,12H,10-11,13H2,1-3H3,(H,20,21)
InChIKeyCBZQNBCMGJWMPH-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dimethylphenoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 29290670
4-[[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 22683001
3-(2,5-dimethylphenoxy)-N-propylpropanamide
CID 60637796
3-(2,5-dimethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 8871410
5-(2,5-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide
CID 48503193
3-(2,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)propanamide
CID 8880667
4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide
CID 56812747
N-benzyl-2-[4-[3-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 30456737
3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318602
3-(2,5-dimethylphenoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 43009894
N-cyano-3-(2,5-dimethylphenoxy)propanamide
CID 79194357
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide (CID 27259732) is 3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCOc2cc(C)ccc2C)cc1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is CBZQNBCMGJWMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14-5-8-17(9-6-14)13-20-19(21)10-11-22-18-12-15(2)4-7-16(18)3/h4-9,12H,10-11,13H2,1-3H3,(H,20,21).
What are the key properties of 3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide?
3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 297.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 27259732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).