(2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide

C21H27NO3 — CID 94018489

IUPAC(2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCCOc1ccc(CNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1
InChIInChI=1S/C21H27NO3/c1-5-24-18-12-10-17(11-13-18)14-22-21(23)16(4)25-20-9-7-6-8-19(20)15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,22,23)/t16-/m0/s1
InChIKeyKWGXRRZWUKZLCR-INIZCTEOSA-N
MW341.45 g/mol
LogP4.29
Rot. Bonds8

About (2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide

(2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 94018489) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is (2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID94018489
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name(2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCCOc1ccc(CNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1
InChIInChI=1S/C21H27NO3/c1-5-24-18-12-10-17(11-13-18)14-22-21(23)16(4)25-20-9-7-6-8-19(20)15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,22,23)/t16-/m0/s1
InChIKeyKWGXRRZWUKZLCR-INIZCTEOSA-N
XLogP4.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 41187411
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92683578
N-benzyl-2-(2-butan-2-ylphenoxy)propanamide
CID 17129862
N-[(4-piperidin-1-ylphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43908232
N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 133239810
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 94016454
N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108923165
N-[(3-ethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide
CID 46770916
N-[(2-fluorophenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 17068382
N-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide
CID 43907670
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108759067

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide (CID 94018489) is (2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide is CCOc1ccc(CNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1.
What is the InChIKey of (2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is KWGXRRZWUKZLCR-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-24-18-12-10-17(11-13-18)14-22-21(23)16(4)25-20-9-7-6-8-19(20)15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,22,23)/t16-/m0/s1.
What are the key properties of (2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide?
(2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide has a molecular weight of 341.45 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 94018489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).