(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide

C18H21NO3 — CID 719385

IUPAC(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(O[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H21NO3/c1-12-5-6-13(2)17(11-12)19-18(20)14(3)22-16-9-7-15(21-4)8-10-16/h5-11,14H,1-4H3,(H,19,20)/t14-/m1/s1
InChIKeyXLBXAIWDLCEZQW-CQSZACIVSA-N
MW299.37 g/mol
LogP3.72
Rot. Bonds5

About (2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide

(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide (PubChem CID 719385) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
PubChem CID719385
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(O[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H21NO3/c1-12-5-6-13(2)17(11-12)19-18(20)14(3)22-16-9-7-15(21-4)8-10-16/h5-11,14H,1-4H3,(H,19,20)/t14-/m1/s1
InChIKeyXLBXAIWDLCEZQW-CQSZACIVSA-N
XLogP3.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-bromophenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 7376118
methyl N-[4-[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate
CID 94537725
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 26539879
2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 24511206
(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082545
(2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 719492
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 837813
methyl 3-[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 26548597
(2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 9097735
(2S)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethoxyphenoxy)propanamide
CID 26564189
[1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 46619200
N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789567

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide (CID 719385) is (2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for (2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide is COc1ccc(O[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of (2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide?
The InChIKey is XLBXAIWDLCEZQW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12-5-6-13(2)17(11-12)19-18(20)14(3)22-16-9-7-15(21-4)8-10-16/h5-11,14H,1-4H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide?
(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide has a molecular weight of 299.37 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 719385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).