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

C20H25NO3 — CID 133165885

IUPACN-[2-(2,3-dimethylphenoxy)ethyl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NCCOc2cccc(C)c2C)c1
InChIInChI=1S/C20H25NO3/c1-14-7-5-9-18(13-14)24-17(4)20(22)21-11-12-23-19-10-6-8-15(2)16(19)3/h5-10,13,17H,11-12H2,1-4H3,(H,21,22)
InChIKeyQJUXNUXCNLOAAJ-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.57
Rot. Bonds7

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

N-[2-(2,3-dimethylphenoxy)ethyl]-2-(3-methylphenoxy)propanamide (PubChem CID 133165885) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[2-(2,3-dimethylphenoxy)ethyl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylphenoxy)ethyl]-2-(3-methylphenoxy)propanamide
PubChem CID133165885
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[2-(2,3-dimethylphenoxy)ethyl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NCCOc2cccc(C)c2C)c1
InChIInChI=1S/C20H25NO3/c1-14-7-5-9-18(13-14)24-17(4)20(22)21-11-12-23-19-10-6-8-15(2)16(19)3/h5-10,13,17H,11-12H2,1-4H3,(H,21,22)
InChIKeyQJUXNUXCNLOAAJ-UHFFFAOYSA-N
XLogP3.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.57
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

(2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 38451380
N-[2-(3-methylphenoxy)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 133239821
(2R)-N-[2-(4-fluorophenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 37363339
(2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide
CID 94633957
2-(2-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 133219180
N-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide
CID 133166083
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 133211025
(2R)-N-[(2-ethoxyphenyl)methyl]-2-(3-methylphenoxy)propanamide
CID 92679385
2-(3-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700160
(2R)-2-(4-fluorophenoxy)-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 94633905
N-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide
CID 119504615
(2R)-N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2640909

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylphenoxy)ethyl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-[2-(2,3-dimethylphenoxy)ethyl]-2-(3-methylphenoxy)propanamide (CID 133165885) is N-[2-(2,3-dimethylphenoxy)ethyl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[2-(2,3-dimethylphenoxy)ethyl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[2-(2,3-dimethylphenoxy)ethyl]-2-(3-methylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)NCCOc2cccc(C)c2C)c1.
What is the InChIKey of N-[2-(2,3-dimethylphenoxy)ethyl]-2-(3-methylphenoxy)propanamide?
The InChIKey is QJUXNUXCNLOAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-14-7-5-9-18(13-14)24-17(4)20(22)21-11-12-23-19-10-6-8-15(2)16(19)3/h5-10,13,17H,11-12H2,1-4H3,(H,21,22).
What are the key properties of N-[2-(2,3-dimethylphenoxy)ethyl]-2-(3-methylphenoxy)propanamide?
N-[2-(2,3-dimethylphenoxy)ethyl]-2-(3-methylphenoxy)propanamide has a molecular weight of 327.42 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylphenoxy)ethyl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 133165885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).