2-(3,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide

C22H29NO2 — CID 132652025

IUPAC2-(3,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)NCCCc1cccc(C)c1
InChIInChI=1S/C22H29NO2/c1-5-21(25-20-14-17(3)12-18(4)15-20)22(24)23-11-7-10-19-9-6-8-16(2)13-19/h6,8-9,12-15,21H,5,7,10-11H2,1-4H3,(H,23,24)
InChIKeyGYTQSYZSQVCEKF-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.52
Rot. Bonds8

About 2-(3,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide

2-(3,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide (PubChem CID 132652025) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide
PubChem CID132652025
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name2-(3,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)NCCCc1cccc(C)c1
InChIInChI=1S/C22H29NO2/c1-5-21(25-20-14-17(3)12-18(4)15-20)22(24)23-11-7-10-19-9-6-8-16(2)13-19/h6,8-9,12-15,21H,5,7,10-11H2,1-4H3,(H,23,24)
InChIKeyGYTQSYZSQVCEKF-UHFFFAOYSA-N
XLogP4.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 46764115
(2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 92681450
(2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide
CID 92673118
2-(3,5-dimethylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide
CID 132655072
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[3-(3-methylphenyl)propyl]butanamide
CID 100641683
(2R)-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide
CID 28631512
N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)butanamide;hydrochloride
CID 119549172
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 132653897
2-(3,4-dimethylphenoxy)-N-(3-phenylpropyl)butanamide
CID 43905383
(2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 94019474
6-[2-(3-methylphenoxy)butanoylamino]hexanoic acid
CID 119352114
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99133296

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide (CID 132652025) is 2-(3,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide is CCC(Oc1cc(C)cc(C)c1)C(=O)NCCCc1cccc(C)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide?
The InChIKey is GYTQSYZSQVCEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-5-21(25-20-14-17(3)12-18(4)15-20)22(24)23-11-7-10-19-9-6-8-16(2)13-19/h6,8-9,12-15,21H,5,7,10-11H2,1-4H3,(H,23,24).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide?
2-(3,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide has a molecular weight of 339.48 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide is sourced from PubChem (CID 132652025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).