N-[1-(2,4-dimethylphenyl)propyl]-2-(2,3,5-trimethylphenoxy)acetamide

C22H29NO2 — CID 132652053

IUPACN-[1-(2,4-dimethylphenyl)propyl]-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCCC(NC(=O)COc1cc(C)cc(C)c1C)c1ccc(C)cc1C
InChIInChI=1S/C22H29NO2/c1-7-20(19-9-8-14(2)10-17(19)5)23-22(24)13-25-21-12-15(3)11-16(4)18(21)6/h8-12,20H,7,13H2,1-6H3,(H,23,24)
InChIKeyLHQMJEVCGZAGPN-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.88
Rot. Bonds6

About N-[1-(2,4-dimethylphenyl)propyl]-2-(2,3,5-trimethylphenoxy)acetamide

N-[1-(2,4-dimethylphenyl)propyl]-2-(2,3,5-trimethylphenoxy)acetamide (PubChem CID 132652053) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)propyl]-2-(2,3,5-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)propyl]-2-(2,3,5-trimethylphenoxy)acetamide
PubChem CID132652053
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC NameN-[1-(2,4-dimethylphenyl)propyl]-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCCC(NC(=O)COc1cc(C)cc(C)c1C)c1ccc(C)cc1C
InChIInChI=1S/C22H29NO2/c1-7-20(19-9-8-14(2)10-17(19)5)23-22(24)13-25-21-12-15(3)11-16(4)18(21)6/h8-12,20H,7,13H2,1-6H3,(H,23,24)
InChIKeyLHQMJEVCGZAGPN-UHFFFAOYSA-N
XLogP4.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
CID 99993779
2-(4-tert-butylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 132653395
N-[1-(2,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 133251756
2-(2,4-dimethylphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328158
(2S)-2-[[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanoate
CID 9156910
2-(2,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100761254
N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylphenyl)propanamide
CID 132650390
N-[1-(2,4-dimethylphenyl)propyl]-4-phenoxybutanamide
CID 132651078
N-[1-(2-methylphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 132652265
N-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide
CID 133265324
2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133251910
2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-pentan-2-ylacetamide
CID 63651841

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-2-(2,3,5-trimethylphenoxy)acetamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-2-(2,3,5-trimethylphenoxy)acetamide (CID 132652053) is N-[1-(2,4-dimethylphenyl)propyl]-2-(2,3,5-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)propyl]-2-(2,3,5-trimethylphenoxy)acetamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)propyl]-2-(2,3,5-trimethylphenoxy)acetamide is CCC(NC(=O)COc1cc(C)cc(C)c1C)c1ccc(C)cc1C.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)propyl]-2-(2,3,5-trimethylphenoxy)acetamide?
The InChIKey is LHQMJEVCGZAGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-7-20(19-9-8-14(2)10-17(19)5)23-22(24)13-25-21-12-15(3)11-16(4)18(21)6/h8-12,20H,7,13H2,1-6H3,(H,23,24).
What are the key properties of N-[1-(2,4-dimethylphenyl)propyl]-2-(2,3,5-trimethylphenoxy)acetamide?
N-[1-(2,4-dimethylphenyl)propyl]-2-(2,3,5-trimethylphenoxy)acetamide has a molecular weight of 339.48 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)propyl]-2-(2,3,5-trimethylphenoxy)acetamide is sourced from PubChem (CID 132652053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).