(2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide

C14H21NO2 — CID 28631725

IUPAC(2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCCNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C
InChIInChI=1S/C14H21NO2/c1-6-15-14(16)12(5)17-13-8-9(2)7-10(3)11(13)4/h7-8,12H,6H2,1-5H3,(H,15,16)/t12-/m1/s1
InChIKeyIRMSGYBMKYTFTQ-GFCCVEGCSA-N
MW235.33 g/mol
LogP2.52
Rot. Bonds4

About (2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide

(2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 28631725) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide
PubChem CID28631725
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCCNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C
InChIInChI=1S/C14H21NO2/c1-6-15-14(16)12(5)17-13-8-9(2)7-10(3)11(13)4/h7-8,12H,6H2,1-5H3,(H,15,16)/t12-/m1/s1
InChIKeyIRMSGYBMKYTFTQ-GFCCVEGCSA-N
XLogP2.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(2-methylphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92675244
(2R)-N-[(4-chlorophenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680001
(2S)-N-[2-(4-propan-2-ylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680909
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92685312
N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43904321
N-[2-(3-methylphenoxy)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 133239821
(2R)-N-[3-(4-chlorophenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 99950551
(2S)-N-(2-cyclopentylsulfanylethyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 100744032
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
N-ethyl-2-(5-fluoro-2-methylphenoxy)propanamide
CID 102990501
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92684033
N-[3-(2-methoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43907336

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of (2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide (CID 28631725) is (2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for (2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide is CCNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C.
What is the InChIKey of (2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is IRMSGYBMKYTFTQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21NO2/c1-6-15-14(16)12(5)17-13-8-9(2)7-10(3)11(13)4/h7-8,12H,6H2,1-5H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide?
(2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 235.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 28631725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).