N-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide

C20H25NO3 — CID 133166083

IUPACN-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide
SMILESCc1ccc(C)c(OCCNC(=O)C(C)Oc2ccccc2C)c1
InChIInChI=1S/C20H25NO3/c1-14-9-10-16(3)19(13-14)23-12-11-21-20(22)17(4)24-18-8-6-5-7-15(18)2/h5-10,13,17H,11-12H2,1-4H3,(H,21,22)
InChIKeyYXKXVRDIKHUOND-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.57
Rot. Bonds7

About N-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide

N-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide (PubChem CID 133166083) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide
PubChem CID133166083
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide
SMILESCc1ccc(C)c(OCCNC(=O)C(C)Oc2ccccc2C)c1
InChIInChI=1S/C20H25NO3/c1-14-9-10-16(3)19(13-14)23-12-11-21-20(22)17(4)24-18-8-6-5-7-15(18)2/h5-10,13,17H,11-12H2,1-4H3,(H,21,22)
InChIKeyYXKXVRDIKHUOND-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

2-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 43915467
2-(2-methylphenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220515
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-ethylphenoxy)propanamide
CID 133239783
(2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide
CID 94633957
1-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-propan-2-yloxyphenyl)urea
CID 112973546
N-[2-(2,3-dimethylphenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 133165885
N-[2-(2,5-dimethylphenoxy)ethyl]acetamide
CID 5298522
2-(2-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 43916117
(2R)-2-(4-fluorophenoxy)-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 94633905
2-(2,5-dimethylphenoxy)-N-[6-[2-(2,5-dimethylphenoxy)propanoylamino]hexyl]propanamide
CID 4945104
(2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 38451380
2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 133239751

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide?
The IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide (CID 133166083) is N-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide?
The canonical SMILES for N-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide is Cc1ccc(C)c(OCCNC(=O)C(C)Oc2ccccc2C)c1.
What is the InChIKey of N-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide?
The InChIKey is YXKXVRDIKHUOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-14-9-10-16(3)19(13-14)23-12-11-21-20(22)17(4)24-18-8-6-5-7-15(18)2/h5-10,13,17H,11-12H2,1-4H3,(H,21,22).
What are the key properties of N-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide?
N-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-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-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide is sourced from PubChem (CID 133166083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).