N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

C21H27NO3 — CID 134012633

IUPACN-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCCOc1ccccc1NC(=O)C(C)Oc1cc(C)ccc1C(C)C
InChIInChI=1S/C21H27NO3/c1-6-24-19-10-8-7-9-18(19)22-21(23)16(5)25-20-13-15(4)11-12-17(20)14(2)3/h7-14,16H,6H2,1-5H3,(H,22,23)
InChIKeySZFBMUMSDGOFSM-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.92
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (PubChem CID 134012633) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
PubChem CID134012633
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCCOc1ccccc1NC(=O)C(C)Oc1cc(C)ccc1C(C)C
InChIInChI=1S/C21H27NO3/c1-6-24-19-10-8-7-9-18(19)22-21(23)16(5)25-20-13-15(4)11-12-17(20)14(2)3/h7-14,16H,6H2,1-5H3,(H,22,23)
InChIKeySZFBMUMSDGOFSM-UHFFFAOYSA-N
XLogP4.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133201955
(2R)-N-(2-ethoxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837498
(2R)-2-(3,5-dimethylphenoxy)-N-(2-ethoxyphenyl)propanamide
CID 890147
(2S)-N-(2-ethoxyphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941253
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenylphenyl)propanamide
CID 133162179
(2R)-N-(2-benzoylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100679238
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8924558
N-(2,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133219467
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133201946
(2R)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636193
(2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636194
2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide
CID 3021953

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (CID 134012633) is N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is CCOc1ccccc1NC(=O)C(C)Oc1cc(C)ccc1C(C)C.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The InChIKey is SZFBMUMSDGOFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-6-24-19-10-8-7-9-18(19)22-21(23)16(5)25-20-13-15(4)11-12-17(20)14(2)3/h7-14,16H,6H2,1-5H3,(H,22,23).
What are the key properties of N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide has a molecular weight of 341.45 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 134012633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).