2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide

C20H25NO4 — CID 133211025

IUPAC2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccccc1OCCNC(=O)C(C)Oc1ccc(C)c(C)c1
InChIInChI=1S/C20H25NO4/c1-14-9-10-17(13-15(14)2)25-16(3)20(22)21-11-12-24-19-8-6-5-7-18(19)23-4/h5-10,13,16H,11-12H2,1-4H3,(H,21,22)
InChIKeyGICSAJWNQKPRQI-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.27
Rot. Bonds8

About 2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide

2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide (PubChem CID 133211025) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
PubChem CID133211025
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccccc1OCCNC(=O)C(C)Oc1ccc(C)c(C)c1
InChIInChI=1S/C20H25NO4/c1-14-9-10-17(13-15(14)2)25-16(3)20(22)21-11-12-24-19-8-6-5-7-18(19)23-4/h5-10,13,16H,11-12H2,1-4H3,(H,21,22)
InChIKeyGICSAJWNQKPRQI-UHFFFAOYSA-N
XLogP3.27
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 133211011
(2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 38451380
(2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 92540063
N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide
CID 133210994
(2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide
CID 94633957
(2R)-2-(4-fluorophenoxy)-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 94633905
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
2-(2-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 133219180
2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide
CID 133211029
2-(3,4-dimethylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 17340995
2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide
CID 53286233
(2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 9180877

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide (CID 133211025) is 2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide is COc1ccccc1OCCNC(=O)C(C)Oc1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide?
The InChIKey is GICSAJWNQKPRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-14-9-10-17(13-15(14)2)25-16(3)20(22)21-11-12-24-19-8-6-5-7-18(19)23-4/h5-10,13,16H,11-12H2,1-4H3,(H,21,22).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide?
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide has a molecular weight of 343.42 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide is sourced from PubChem (CID 133211025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).