2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]butanamide

C22H29NO3 — CID 133239906

IUPAC2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]butanamide
SMILESCCCc1ccc(OCCNC(=O)C(CC)Oc2ccccc2C)cc1
InChIInChI=1S/C22H29NO3/c1-4-8-18-11-13-19(14-12-18)25-16-15-23-22(24)20(5-2)26-21-10-7-6-9-17(21)3/h6-7,9-14,20H,4-5,8,15-16H2,1-3H3,(H,23,24)
InChIKeyKPFUCDMGDMBYKY-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.30
Rot. Bonds10

About 2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]butanamide

2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]butanamide (PubChem CID 133239906) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]butanamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]butanamide
PubChem CID133239906
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]butanamide
SMILESCCCc1ccc(OCCNC(=O)C(CC)Oc2ccccc2C)cc1
InChIInChI=1S/C22H29NO3/c1-4-8-18-11-13-19(14-12-18)25-16-15-23-22(24)20(5-2)26-21-10-7-6-9-17(21)3/h6-7,9-14,20H,4-5,8,15-16H2,1-3H3,(H,23,24)
InChIKeyKPFUCDMGDMBYKY-UHFFFAOYSA-N
XLogP4.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 133239751
2-naphthalen-2-yloxy-N-[2-(4-propylphenoxy)ethyl]butanamide
CID 133240086
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 93487721
N-[2-(4-ethylphenoxy)ethyl]-2-(2-fluorophenoxy)butanamide
CID 133211115
2-(2,3-dimethylphenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133240129
(2S)-N-butyl-2-(2-methylphenoxy)butanamide
CID 30398295
2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133211089
2-(2,4-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 132652207
2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide
CID 133240011
2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide
CID 132655453
(2R)-N-[2-(2-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100549342

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]butanamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]butanamide (CID 133239906) is 2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]butanamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]butanamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]butanamide is CCCc1ccc(OCCNC(=O)C(CC)Oc2ccccc2C)cc1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]butanamide?
The InChIKey is KPFUCDMGDMBYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-4-8-18-11-13-19(14-12-18)25-16-15-23-22(24)20(5-2)26-21-10-7-6-9-17(21)3/h6-7,9-14,20H,4-5,8,15-16H2,1-3H3,(H,23,24).
What are the key properties of 2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]butanamide?
2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]butanamide has a molecular weight of 355.48 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]butanamide is sourced from PubChem (CID 133239906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).