N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide

C20H25NO3 — CID 126588571

IUPACN-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide
SMILESCCC(=O)Nc1ccc(OC)cc1COc1ccc(CC)cc1C
InChIInChI=1S/C20H25NO3/c1-5-15-7-10-19(14(3)11-15)24-13-16-12-17(23-4)8-9-18(16)21-20(22)6-2/h7-12H,5-6,13H2,1-4H3,(H,21,22)
InChIKeyMOKUJPDQHGTTPG-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.49
Rot. Bonds7

About N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide

N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide (PubChem CID 126588571) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide.

Molecular Properties

Compound NameN-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide
PubChem CID126588571
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide
SMILESCCC(=O)Nc1ccc(OC)cc1COc1ccc(CC)cc1C
InChIInChI=1S/C20H25NO3/c1-5-15-7-10-19(14(3)11-15)24-13-16-12-17(23-4)8-9-18(16)21-20(22)6-2/h7-12H,5-6,13H2,1-4H3,(H,21,22)
InChIKeyMOKUJPDQHGTTPG-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide
CID 126588569
difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]carbamate
CID 126589188
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide
CID 126587630
1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126515913
N-[4-ethoxy-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanethioamide
CID 126589423
methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]-N-hydroxycarbamate
CID 126588583
methyl N-[4-bromo-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126589168
N-[5-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide
CID 129054233
N-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide
CID 129039598
N-[2-bromo-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide
CID 126588301
O-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-methoxyphenyl]carbamothioate
CID 129039222
S-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]carbamothioate
CID 126587970

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide?
The IUPAC name of N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide (CID 126588571) is N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide.
What is the SMILES notation for N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide?
The canonical SMILES for N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide is CCC(=O)Nc1ccc(OC)cc1COc1ccc(CC)cc1C.
What is the InChIKey of N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide?
The InChIKey is MOKUJPDQHGTTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-5-15-7-10-19(14(3)11-15)24-13-16-12-17(23-4)8-9-18(16)21-20(22)6-2/h7-12H,5-6,13H2,1-4H3,(H,21,22).
What are the key properties of N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide?
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide has a molecular weight of 327.42 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide is sourced from PubChem (CID 126588571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).