N-[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl]propanamide

C21H27NO2 — CID 129038836

IUPACN-[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(C)c1COc1cc(C)c(C)cc1CC
InChIInChI=1S/C21H27NO2/c1-6-17-11-15(4)16(5)12-20(17)24-13-18-14(3)9-8-10-19(18)22-21(23)7-2/h8-12H,6-7,13H2,1-5H3,(H,22,23)
InChIKeyVAPCOBZACGQJJT-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.10
Rot. Bonds6

About N-[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl]propanamide

N-[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl]propanamide (PubChem CID 129038836) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl]propanamide
PubChem CID129038836
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(C)c1COc1cc(C)c(C)cc1CC
InChIInChI=1S/C21H27NO2/c1-6-17-11-15(4)16(5)12-20(17)24-13-18-14(3)9-8-10-19(18)22-21(23)7-2/h8-12H,6-7,13H2,1-5H3,(H,22,23)
InChIKeyVAPCOBZACGQJJT-UHFFFAOYSA-N
XLogP5.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-chloro-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]propanamide
CID 129038837
N-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide
CID 126588973
N-[3-chloro-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]propanamide
CID 126588913
N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]propanamide
CID 126587753
methyl N-[3-bromo-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]carbamate
CID 129038513
N-[2-[(2-bromo-4-ethylphenoxy)methyl]-3-methylphenyl]propanamide
CID 126588428
N-[3-fluoro-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]propanamide
CID 129038618
N-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide
CID 126588143
[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl] methyl carbonate
CID 122645722
O-methyl N-[3-bromo-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]carbamothioate
CID 129038444
N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4,5-dimethylphenoxy]methyl]phenyl]propanamide
CID 129038789
O-methyl N-[3-bromo-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]carbamothioate
CID 129049216

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl]propanamide?
The IUPAC name of N-[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl]propanamide (CID 129038836) is N-[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl]propanamide.
What is the SMILES notation for N-[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl]propanamide?
The canonical SMILES for N-[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl]propanamide is CCC(=O)Nc1cccc(C)c1COc1cc(C)c(C)cc1CC.
What is the InChIKey of N-[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl]propanamide?
The InChIKey is VAPCOBZACGQJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-6-17-11-15(4)16(5)12-20(17)24-13-18-14(3)9-8-10-19(18)22-21(23)7-2/h8-12H,6-7,13H2,1-5H3,(H,22,23).
What are the key properties of N-[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl]propanamide?
N-[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl]propanamide has a molecular weight of 325.45 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl]propanamide is sourced from PubChem (CID 129038836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).