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

C21H25NO2 — CID 129054233

IUPACN-[5-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide
SMILESC=Cc1ccc(COc2ccc(CC)cc2C)c(NC(=O)CC)c1
InChIInChI=1S/C21H25NO2/c1-5-16-9-11-20(15(4)12-16)24-14-18-10-8-17(6-2)13-19(18)22-21(23)7-3/h6,8-13H,2,5,7,14H2,1,3-4H3,(H,22,23)
InChIKeyZSDQHABOYRICLK-UHFFFAOYSA-N
MW323.44 g/mol
LogP5.13
Rot. Bonds7

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

N-[5-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide (PubChem CID 129054233) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[5-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[5-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide
PubChem CID129054233
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-[5-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide
SMILESC=Cc1ccc(COc2ccc(CC)cc2C)c(NC(=O)CC)c1
InChIInChI=1S/C21H25NO2/c1-5-16-9-11-20(15(4)12-16)24-14-18-10-8-17(6-2)13-19(18)22-21(23)7-3/h6,8-13H,2,5,7,14H2,1,3-4H3,(H,22,23)
InChIKeyZSDQHABOYRICLK-UHFFFAOYSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide
CID 126587630
1-[4-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126515985
N-[4-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanethioamide
CID 129054357
O-methyl N-[4-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamothioate
CID 129054230
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide
CID 126588569
ethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126589055
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-[2-[(2,4-dimethylphenoxy)methyl]-5-iodophenyl]propanamide
CID 129039617
N-[2-bromo-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide
CID 126588301
1-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-(trifluoromethyl)phenyl]-3-methylurea
CID 126588608
1-[5-(difluoromethyl)-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126515823

Frequently Asked Questions

What is the IUPAC name of N-[5-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide?
The IUPAC name of N-[5-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide (CID 129054233) is N-[5-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide.
What is the SMILES notation for N-[5-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide?
The canonical SMILES for N-[5-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide is C=Cc1ccc(COc2ccc(CC)cc2C)c(NC(=O)CC)c1.
What is the InChIKey of N-[5-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide?
The InChIKey is ZSDQHABOYRICLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-5-16-9-11-20(15(4)12-16)24-14-18-10-8-17(6-2)13-19(18)22-21(23)7-3/h6,8-13H,2,5,7,14H2,1,3-4H3,(H,22,23).
What are the key properties of N-[5-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide?
N-[5-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide has a molecular weight of 323.44 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide is sourced from PubChem (CID 129054233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).