(2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide

C18H21NO3 — CID 94633957

IUPAC(2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide
SMILESCc1ccccc1OCCNC(=O)[C@H](C)Oc1ccccc1
InChIInChI=1S/C18H21NO3/c1-14-8-6-7-11-17(14)21-13-12-19-18(20)15(2)22-16-9-4-3-5-10-16/h3-11,15H,12-13H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeyXLUJZBHGZYJYPY-HNNXBMFYSA-N
MW299.37 g/mol
LogP2.96
Rot. Bonds7

About (2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide

(2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide (PubChem CID 94633957) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide
PubChem CID94633957
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide
SMILESCc1ccccc1OCCNC(=O)[C@H](C)Oc1ccccc1
InChIInChI=1S/C18H21NO3/c1-14-8-6-7-11-17(14)21-13-12-19-18(20)15(2)22-16-9-4-3-5-10-16/h3-11,15H,12-13H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeyXLUJZBHGZYJYPY-HNNXBMFYSA-N
XLogP2.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.96
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)-2-(4-fluorophenoxy)-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 94633905
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 133218709
N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide
CID 133210994
2-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 43915467
N-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide
CID 133166083
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 133211025
N-[2-(2,3-dimethylphenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 133165885
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
2-(2-methylphenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220515
(2R)-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 41013253
(2R)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-phenoxypropanamide
CID 94623488
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide (CID 94633957) is (2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide is Cc1ccccc1OCCNC(=O)[C@H](C)Oc1ccccc1.
What is the InChIKey of (2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide?
The InChIKey is XLUJZBHGZYJYPY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-14-8-6-7-11-17(14)21-13-12-19-18(20)15(2)22-16-9-4-3-5-10-16/h3-11,15H,12-13H2,1-2H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide?
(2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide has a molecular weight of 299.37 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide is sourced from PubChem (CID 94633957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).