N-[3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide

C21H27NO3 — CID 129038909

IUPACN-[3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide
SMILESCCC(=O)N(O)c1cccc(CC)c1COc1cc(C)c(C)cc1C
InChIInChI=1S/C21H27NO3/c1-6-17-9-8-10-19(22(24)21(23)7-2)18(17)13-25-20-12-15(4)14(3)11-16(20)5/h8-12,24H,6-7,13H2,1-5H3
InChIKeyAIZBNLQBHCPKNU-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.89
Rot. Bonds6

About N-[3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide

N-[3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide (PubChem CID 129038909) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide.

Molecular Properties

Compound NameN-[3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide
PubChem CID129038909
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide
SMILESCCC(=O)N(O)c1cccc(CC)c1COc1cc(C)c(C)cc1C
InChIInChI=1S/C21H27NO3/c1-6-17-9-8-10-19(22(24)21(23)7-2)18(17)13-25-20-12-15(4)14(3)11-16(20)5/h8-12,24H,6-7,13H2,1-5H3
InChIKeyAIZBNLQBHCPKNU-UHFFFAOYSA-N
XLogP4.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide
CID 126589342
N-[3-cyclopropyl-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide
CID 126588218
3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride
CID 121367485
N-[3-bromo-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-methylpropanamide
CID 126588910
methyl N-[3-chloro-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-N-hydroxycarbamate
CID 129038771
methyl N-[3-ethoxy-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamate
CID 129039069
methyl N-[3-ethyl-2-[[4-ethyl-5-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]-N-hydroxycarbamate
CID 126587848
S-methyl N-[3-cyclopropyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[3-ethoxy-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-hydroxy-N-[3-(hydroxymethyl)-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]carbamothioate;bis(S-methyl N-hydroxy-N-[3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]carbamothioate)
CID 160898470
N-[3-(difluoromethyl)-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-methylpropanamide
CID 129049186
methyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-ethylphenyl]-N-hydroxycarbamate
CID 129038689
N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-methylpropanamide
CID 129039032
methyl N-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethoxyphenyl]-N-hydroxycarbamate
CID 126587835

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide?
The IUPAC name of N-[3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide (CID 129038909) is N-[3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide.
What is the SMILES notation for N-[3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide?
The canonical SMILES for N-[3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide is CCC(=O)N(O)c1cccc(CC)c1COc1cc(C)c(C)cc1C.
What is the InChIKey of N-[3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide?
The InChIKey is AIZBNLQBHCPKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-6-17-9-8-10-19(22(24)21(23)7-2)18(17)13-25-20-12-15(4)14(3)11-16(20)5/h8-12,24H,6-7,13H2,1-5H3.
What are the key properties of N-[3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide?
N-[3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide has a molecular weight of 341.45 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide is sourced from PubChem (CID 129038909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).