2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide

C22H29NO3 — CID 133201746

IUPAC2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide
SMILESCCC(NC(=O)C(C)Oc1cc(C)ccc1C)c1ccc(OC)c(C)c1
InChIInChI=1S/C22H29NO3/c1-7-19(18-10-11-20(25-6)16(4)13-18)23-22(24)17(5)26-21-12-14(2)8-9-15(21)3/h8-13,17,19H,7H2,1-6H3,(H,23,24)
InChIKeyYCAVBWROLIEXJD-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.66
Rot. Bonds7

About 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide

2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide (PubChem CID 133201746) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide
PubChem CID133201746
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide
SMILESCCC(NC(=O)C(C)Oc1cc(C)ccc1C)c1ccc(OC)c(C)c1
InChIInChI=1S/C22H29NO3/c1-7-19(18-10-11-20(25-6)16(4)13-18)23-22(24)17(5)26-21-12-14(2)8-9-15(21)3/h8-13,17,19H,7H2,1-6H3,(H,23,24)
InChIKeyYCAVBWROLIEXJD-UHFFFAOYSA-N
XLogP4.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 133178453
(2R)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 92675499
(2R)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 92675498
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-methylphenoxy)propanamide
CID 133166359
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 133160157
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(3-methoxyphenoxy)propanamide
CID 133186771
(2S)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100738763
(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide
CID 99132320
N-[1-(3,4-dimethylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 132652272
2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133251910
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 100772095
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 100772091

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide (CID 133201746) is 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide is CCC(NC(=O)C(C)Oc1cc(C)ccc1C)c1ccc(OC)c(C)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide?
The InChIKey is YCAVBWROLIEXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-7-19(18-10-11-20(25-6)16(4)13-18)23-22(24)17(5)26-21-12-14(2)8-9-15(21)3/h8-13,17,19H,7H2,1-6H3,(H,23,24).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide?
2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide has a molecular weight of 355.48 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide is sourced from PubChem (CID 133201746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).