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

C19H23NO2 — CID 53282908

IUPAC2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)C(C)Oc2cc(C)ccc2C)c1
InChIInChI=1S/C19H23NO2/c1-13-6-5-7-17(10-13)12-20-19(21)16(4)22-18-11-14(2)8-9-15(18)3/h5-11,16H,12H2,1-4H3,(H,20,21)
InChIKeyJTLOEXVGVSSAGZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.70
Rot. Bonds5

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

2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 53282908) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
PubChem CID53282908
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)C(C)Oc2cc(C)ccc2C)c1
InChIInChI=1S/C19H23NO2/c1-13-6-5-7-17(10-13)12-20-19(21)16(4)22-18-11-14(2)8-9-15(18)3/h5-11,16H,12H2,1-4H3,(H,20,21)
InChIKeyJTLOEXVGVSSAGZ-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

(2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 92682902
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 99132130
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
2-(2,5-dimethylphenoxy)-N-[6-[2-(2,5-dimethylphenoxy)propanoylamino]hexyl]propanamide
CID 4945104
(2S)-2-(2,4-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99132322
2-(2-bromo-4-fluorophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 55690625
(2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 33278800
N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43904321
(2S)-2-(2,4-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 99132247
N-benzyl-4-[2-[2-(2,5-dimethylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
CID 4945000
N-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide
CID 133166083
N-benzyl-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
CID 43887128

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide (CID 53282908) is 2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide is Cc1cccc(CNC(=O)C(C)Oc2cc(C)ccc2C)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is JTLOEXVGVSSAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13-6-5-7-17(10-13)12-20-19(21)16(4)22-18-11-14(2)8-9-15(18)3/h5-11,16H,12H2,1-4H3,(H,20,21).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide?
2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 297.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 53282908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).