N-[1-(4-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

C23H31NO2 — CID 17328405

IUPACN-[1-(4-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCCC(NC(=O)C(C)Oc1cc(C)ccc1C(C)C)c1ccc(C)cc1
InChIInChI=1S/C23H31NO2/c1-7-21(19-11-8-16(4)9-12-19)24-23(25)18(6)26-22-14-17(5)10-13-20(22)15(2)3/h8-15,18,21H,7H2,1-6H3,(H,24,25)
InChIKeyAKEWWXCCVRFMEA-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.46
Rot. Bonds7

About N-[1-(4-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

N-[1-(4-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (PubChem CID 17328405) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
PubChem CID17328405
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC NameN-[1-(4-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCCC(NC(=O)C(C)Oc1cc(C)ccc1C(C)C)c1ccc(C)cc1
InChIInChI=1S/C23H31NO2/c1-7-21(19-11-8-16(4)9-12-19)24-23(25)18(6)26-22-14-17(5)10-13-20(22)15(2)3/h8-15,18,21H,7H2,1-6H3,(H,24,25)
InChIKeyAKEWWXCCVRFMEA-UHFFFAOYSA-N
XLogP5.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100738763
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 100724187
(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-methoxyphenyl)-3-methylbutyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133160250
2-[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]butanoic acid
CID 119223242
(2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 28632091
(2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 94843776
(2R)-N-[(2R)-3-methylbutan-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100572381
(2R)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 92673641
(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide
CID 99132320
N-[1-(4-tert-butylphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133199972

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[1-(4-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (CID 17328405) is N-[1-(4-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is CCC(NC(=O)C(C)Oc1cc(C)ccc1C(C)C)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The InChIKey is AKEWWXCCVRFMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-7-21(19-11-8-16(4)9-12-19)24-23(25)18(6)26-22-14-17(5)10-13-20(22)15(2)3/h8-15,18,21H,7H2,1-6H3,(H,24,25).
What are the key properties of N-[1-(4-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
N-[1-(4-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide has a molecular weight of 353.51 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 17328405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).