N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide

C20H25NO2 — CID 126587630

IUPACN-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide
SMILESCCC(=O)Nc1cc(C)ccc1COc1ccc(CC)cc1C
InChIInChI=1S/C20H25NO2/c1-5-16-8-10-19(15(4)12-16)23-13-17-9-7-14(3)11-18(17)21-20(22)6-2/h7-12H,5-6,13H2,1-4H3,(H,21,22)
InChIKeyTYIARDMDSHTDJG-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.79
Rot. Bonds6

About N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide

N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide (PubChem CID 126587630) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide
PubChem CID126587630
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide
SMILESCCC(=O)Nc1cc(C)ccc1COc1ccc(CC)cc1C
InChIInChI=1S/C20H25NO2/c1-5-16-8-10-19(15(4)12-16)23-13-17-9-7-14(3)11-18(17)21-20(22)6-2/h7-12H,5-6,13H2,1-4H3,(H,21,22)
InChIKeyTYIARDMDSHTDJG-UHFFFAOYSA-N
XLogP4.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide
CID 129054233
N-[2-[(2,4-dimethylphenoxy)methyl]-5-iodophenyl]propanamide
CID 129039617
ethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126589055
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide
CID 126588569
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide
CID 126588571
O-methyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamothioate
CID 126588550
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
1-[5-(difluoromethyl)-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126515823
1-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-(trifluoromethyl)phenyl]-3-methylurea
CID 126588608
1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126515913
N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide
CID 129039431

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide?
The IUPAC name of N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide (CID 126587630) is N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide.
What is the SMILES notation for N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide?
The canonical SMILES for N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide is CCC(=O)Nc1cc(C)ccc1COc1ccc(CC)cc1C.
What is the InChIKey of N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide?
The InChIKey is TYIARDMDSHTDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-5-16-8-10-19(15(4)12-16)23-13-17-9-7-14(3)11-18(17)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]-5-methylphenyl]propanamide?
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide has a molecular weight of 311.43 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide is sourced from PubChem (CID 126587630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).