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

C21H27NO3 — CID 129038967

IUPACN-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-methylpropanamide
SMILESCCOc1cccc(N(C)C(=O)CC)c1COc1ccc(C)cc1C
InChIInChI=1S/C21H27NO3/c1-6-21(23)22(5)18-9-8-10-20(24-7-2)17(18)14-25-19-12-11-15(3)13-16(19)4/h8-13H,6-7,14H2,1-5H3
InChIKeyDWNPQTWGFYKWOQ-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.65
Rot. Bonds7

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

N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-methylpropanamide (PubChem CID 129038967) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-methylpropanamide
PubChem CID129038967
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-methylpropanamide
SMILESCCOc1cccc(N(C)C(=O)CC)c1COc1ccc(C)cc1C
InChIInChI=1S/C21H27NO3/c1-6-21(23)22(5)18-9-8-10-20(24-7-2)17(18)14-25-19-12-11-15(3)13-16(19)4/h8-13H,6-7,14H2,1-5H3
InChIKeyDWNPQTWGFYKWOQ-UHFFFAOYSA-N
XLogP4.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-1,3-dimethylurea
CID 129038819
N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-methylpropanamide
CID 129039032
[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl] methylsulfanylformate
CID 122646167
1-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-3-methylurea
CID 129038787
N-[3-bromo-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-methylpropanamide
CID 126588910
N-[3-(difluoromethyl)-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-methylpropanamide
CID 129049186
methyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-ethoxyphenyl]-N-hydroxycarbamate
CID 129038907
[2-[(2,4-dimethylphenoxy)methyl]-3-fluorophenyl] propanoate
CID 122645816
S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-ethylcarbamothioate
CID 129039090
N-[3-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide
CID 126589342
S-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl]-N-methylcarbamothioate
CID 126587870
S-methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-ethylcarbamothioate;bis(S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]-N-ethylcarbamothioate)
CID 157296917

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-methylpropanamide?
The IUPAC name of N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-methylpropanamide (CID 129038967) is N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-methylpropanamide.
What is the SMILES notation for N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-methylpropanamide?
The canonical SMILES for N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-methylpropanamide is CCOc1cccc(N(C)C(=O)CC)c1COc1ccc(C)cc1C.
What is the InChIKey of N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-methylpropanamide?
The InChIKey is DWNPQTWGFYKWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-6-21(23)22(5)18-9-8-10-20(24-7-2)17(18)14-25-19-12-11-15(3)13-16(19)4/h8-13H,6-7,14H2,1-5H3.
What are the key properties of N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-methylpropanamide?
N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-methylpropanamide has a molecular weight of 341.45 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-methylpropanamide is sourced from PubChem (CID 129038967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).