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

C21H27NO3 — CID 133239751

IUPAC2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]propanamide
SMILESCCCc1ccc(OCCNC(=O)C(C)Oc2ccccc2C)cc1
InChIInChI=1S/C21H27NO3/c1-4-7-18-10-12-19(13-11-18)24-15-14-22-21(23)17(3)25-20-9-6-5-8-16(20)2/h5-6,8-13,17H,4,7,14-15H2,1-3H3,(H,22,23)
InChIKeyUYCPJGDCKVYPEO-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.91
Rot. Bonds9

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

2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]propanamide (PubChem CID 133239751) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]propanamide
PubChem CID133239751
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]propanamide
SMILESCCCc1ccc(OCCNC(=O)C(C)Oc2ccccc2C)cc1
InChIInChI=1S/C21H27NO3/c1-4-7-18-10-12-19(13-11-18)24-15-14-22-21(23)17(3)25-20-9-6-5-8-16(20)2/h5-6,8-13,17H,4,7,14-15H2,1-3H3,(H,22,23)
InChIKeyUYCPJGDCKVYPEO-UHFFFAOYSA-N
XLogP3.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.91
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]butanamide
CID 133239906
2-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 43915467
N-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide
CID 133166083
2-(2-ethylphenoxy)-N-(2-phenoxyethyl)propanamide
CID 133239770
(2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide
CID 94633957
(2R)-N-[2-(4-propylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100563802
N-[2-(4-propylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133185610
(2R)-2-(4-fluorophenoxy)-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 94633905
2-(2-methylphenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220515
(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide
CID 93487077
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 133211011
2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide
CID 133211029

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]propanamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]propanamide (CID 133239751) is 2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]propanamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]propanamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]propanamide is CCCc1ccc(OCCNC(=O)C(C)Oc2ccccc2C)cc1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]propanamide?
The InChIKey is UYCPJGDCKVYPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-4-7-18-10-12-19(13-11-18)24-15-14-22-21(23)17(3)25-20-9-6-5-8-16(20)2/h5-6,8-13,17H,4,7,14-15H2,1-3H3,(H,22,23).
What are the key properties of 2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]propanamide?
2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]propanamide has a molecular weight of 341.45 g/mol, XLogP of 3.91, 9 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]propanamide is sourced from PubChem (CID 133239751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).