(2S)-2-(2,4-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide

C20H25NO3 — CID 99132247

IUPAC(2S)-2-(2,4-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide
SMILESCCOc1cccc(CNC(=O)[C@H](C)Oc2ccc(C)cc2C)c1
InChIInChI=1S/C20H25NO3/c1-5-23-18-8-6-7-17(12-18)13-21-20(22)16(4)24-19-10-9-14(2)11-15(19)3/h6-12,16H,5,13H2,1-4H3,(H,21,22)/t16-/m0/s1
InChIKeyCFLPXOSZDBQNHT-INIZCTEOSA-N
MW327.42 g/mol
LogP3.79
Rot. Bonds7

About (2S)-2-(2,4-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide

(2S)-2-(2,4-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide (PubChem CID 99132247) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (2S)-2-(2,4-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide
PubChem CID99132247
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(2S)-2-(2,4-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide
SMILESCCOc1cccc(CNC(=O)[C@H](C)Oc2ccc(C)cc2C)c1
InChIInChI=1S/C20H25NO3/c1-5-23-18-8-6-7-17(12-18)13-21-20(22)16(4)24-19-10-9-14(2)11-15(19)3/h6-12,16H,5,13H2,1-4H3,(H,21,22)/t16-/m0/s1
InChIKeyCFLPXOSZDBQNHT-INIZCTEOSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,4-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99132322
(2S)-2-(2,3-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 99131504
N-[(3-ethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide
CID 46770916
(2R)-N-[(3-ethoxyphenyl)methyl]-2-phenoxypropanamide
CID 94184628
2-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]methyl]phenoxy]acetic acid
CID 119246396
(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)propanamide
CID 28567347
N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43904321
2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 53282908
4-[(3-ethoxyphenyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496650
N-[[4-(diethylamino)phenyl]methyl]-2-(2,4-dimethylphenoxy)propanamide
CID 133163191
N-[(3-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235704
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-(2,4-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide (CID 99132247) is (2S)-2-(2,4-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(2,4-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(2,4-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide is CCOc1cccc(CNC(=O)[C@H](C)Oc2ccc(C)cc2C)c1.
What is the InChIKey of (2S)-2-(2,4-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide?
The InChIKey is CFLPXOSZDBQNHT-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25NO3/c1-5-23-18-8-6-7-17(12-18)13-21-20(22)16(4)24-19-10-9-14(2)11-15(19)3/h6-12,16H,5,13H2,1-4H3,(H,21,22)/t16-/m0/s1.
What are the key properties of (2S)-2-(2,4-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide?
(2S)-2-(2,4-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide has a molecular weight of 327.42 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 99132247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).