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

C20H25NO4 — CID 133211011

IUPACN-[2-(3,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1OC(C)C(=O)NCCOc1ccc(C)c(C)c1
InChIInChI=1S/C20H25NO4/c1-14-9-10-17(13-15(14)2)24-12-11-21-20(22)16(3)25-19-8-6-5-7-18(19)23-4/h5-10,13,16H,11-12H2,1-4H3,(H,21,22)
InChIKeyPIEHSVNJEZSVAO-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.27
Rot. Bonds8

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

N-[2-(3,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)propanamide (PubChem CID 133211011) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)propanamide
PubChem CID133211011
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-[2-(3,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1OC(C)C(=O)NCCOc1ccc(C)c(C)c1
InChIInChI=1S/C20H25NO4/c1-14-9-10-17(13-15(14)2)24-12-11-21-20(22)16(3)25-19-8-6-5-7-18(19)23-4/h5-10,13,16H,11-12H2,1-4H3,(H,21,22)
InChIKeyPIEHSVNJEZSVAO-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

2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 133211025
2-(2-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 133219180
N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide
CID 133210994
(2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 38451380
2-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 43915467
(2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 92540063
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 52988547
2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide
CID 133211029
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
4-[3-(2-methoxyphenoxy)propoxy]-1,2-dimethylbenzene
CID 2251577
2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 133239751
(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide
CID 40745436

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)propanamide?
The IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)propanamide (CID 133211011) is N-[2-(3,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)propanamide?
The canonical SMILES for N-[2-(3,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)propanamide is COc1ccccc1OC(C)C(=O)NCCOc1ccc(C)c(C)c1.
What is the InChIKey of N-[2-(3,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)propanamide?
The InChIKey is PIEHSVNJEZSVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-14-9-10-17(13-15(14)2)24-12-11-21-20(22)16(3)25-19-8-6-5-7-18(19)23-4/h5-10,13,16H,11-12H2,1-4H3,(H,21,22).
What are the key properties of N-[2-(3,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)propanamide?
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)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 N-[2-(3,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)propanamide is sourced from PubChem (CID 133211011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).