N-[1-(2,4-dimethylphenyl)propyl]-2-(3-methylphenoxy)propanamide

C21H27NO2 — CID 132651072

IUPACN-[1-(2,4-dimethylphenyl)propyl]-2-(3-methylphenoxy)propanamide
SMILESCCC(NC(=O)C(C)Oc1cccc(C)c1)c1ccc(C)cc1C
InChIInChI=1S/C21H27NO2/c1-6-20(19-11-10-15(3)12-16(19)4)22-21(23)17(5)24-18-9-7-8-14(2)13-18/h7-13,17,20H,6H2,1-5H3,(H,22,23)
InChIKeyNNWSZXUELZILLW-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.65
Rot. Bonds6

About N-[1-(2,4-dimethylphenyl)propyl]-2-(3-methylphenoxy)propanamide

N-[1-(2,4-dimethylphenyl)propyl]-2-(3-methylphenoxy)propanamide (PubChem CID 132651072) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)propyl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)propyl]-2-(3-methylphenoxy)propanamide
PubChem CID132651072
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-[1-(2,4-dimethylphenyl)propyl]-2-(3-methylphenoxy)propanamide
SMILESCCC(NC(=O)C(C)Oc1cccc(C)c1)c1ccc(C)cc1C
InChIInChI=1S/C21H27NO2/c1-6-20(19-11-10-15(3)12-16(19)4)22-21(23)17(5)24-18-9-7-8-14(2)13-18/h7-13,17,20H,6H2,1-5H3,(H,22,23)
InChIKeyNNWSZXUELZILLW-UHFFFAOYSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]propanamide
CID 132652018
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100604886
2-(3-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)propyl]butanamide
CID 132654216
(2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide
CID 94843687
N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide
CID 104981564
(2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide
CID 124561386
N-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide
CID 65315418
(2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 94843776
(2R)-2-(3-methylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 92674586
N-(2,4-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931062
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 30398925
N-[1-(2,4-dimethylphenyl)propyl]-4-propan-2-yloxybenzamide
CID 132651077

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-2-(3-methylphenoxy)propanamide (CID 132651072) is N-[1-(2,4-dimethylphenyl)propyl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)propyl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)propyl]-2-(3-methylphenoxy)propanamide is CCC(NC(=O)C(C)Oc1cccc(C)c1)c1ccc(C)cc1C.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)propyl]-2-(3-methylphenoxy)propanamide?
The InChIKey is NNWSZXUELZILLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-6-20(19-11-10-15(3)12-16(19)4)22-21(23)17(5)24-18-9-7-8-14(2)13-18/h7-13,17,20H,6H2,1-5H3,(H,22,23).
What are the key properties of N-[1-(2,4-dimethylphenyl)propyl]-2-(3-methylphenoxy)propanamide?
N-[1-(2,4-dimethylphenyl)propyl]-2-(3-methylphenoxy)propanamide has a molecular weight of 325.45 g/mol, XLogP of 4.65, 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-(3-methylphenoxy)propanamide is sourced from PubChem (CID 132651072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).