N-hydroxy-3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzamide

C18H21NO3 — CID 118244206

IUPACN-hydroxy-3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzamide
SMILESCc1cc(C)c(OCc2c(C)cccc2C(=O)NO)cc1C
InChIInChI=1S/C18H21NO3/c1-11-6-5-7-15(18(20)19-21)16(11)10-22-17-9-13(3)12(2)8-14(17)4/h5-9,21H,10H2,1-4H3,(H,19,20)
InChIKeyURTQUVXLFZUYII-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.62
Rot. Bonds4

About N-hydroxy-3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzamide

N-hydroxy-3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzamide (PubChem CID 118244206) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-hydroxy-3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzamide
PubChem CID118244206
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-hydroxy-3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzamide
SMILESCc1cc(C)c(OCc2c(C)cccc2C(=O)NO)cc1C
InChIInChI=1S/C18H21NO3/c1-11-6-5-7-15(18(20)19-21)16(11)10-22-17-9-13(3)12(2)8-14(17)4/h5-9,21H,10H2,1-4H3,(H,19,20)
InChIKeyURTQUVXLFZUYII-UHFFFAOYSA-N
XLogP3.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
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-chloro-2-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylbenzamide
CID 129110227
methyl 2-[(5-fluoro-2,4-dimethylphenoxy)methyl]-3-methylbenzoate
CID 121367543
propan-2-yl 3-bromo-2-[(2,4,5-trimethylphenoxy)methyl]benzoate
CID 121367597
N-hydroxy-3-methyl-2-[(propanoylamino)oxymethyl]benzamide
CID 130318288
3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride
CID 121367485
methyl 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzoate
CID 121367532
2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 118244198
N-bromo-2-[(2-chloro-4-hydroxyphenoxy)methyl]-3-methylbenzamide
CID 129110149
methyl N-[3-iodo-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]carbamate
CID 129038436
1-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]ethanone
CID 118967399
3-bromo-2-[(5-chloro-2,4-dimethylphenoxy)methyl]benzoic acid
CID 121367474
propyl 3-chloro-2-[(2,4,5-trimethylphenoxy)methyl]benzoate
CID 121367617

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzamide?
The IUPAC name of N-hydroxy-3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzamide (CID 118244206) is N-hydroxy-3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzamide.
What is the SMILES notation for N-hydroxy-3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzamide?
The canonical SMILES for N-hydroxy-3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzamide is Cc1cc(C)c(OCc2c(C)cccc2C(=O)NO)cc1C.
What is the InChIKey of N-hydroxy-3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzamide?
The InChIKey is URTQUVXLFZUYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-11-6-5-7-15(18(20)19-21)16(11)10-22-17-9-13(3)12(2)8-14(17)4/h5-9,21H,10H2,1-4H3,(H,19,20).
What are the key properties of N-hydroxy-3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzamide?
N-hydroxy-3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzamide has a molecular weight of 299.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzamide is sourced from PubChem (CID 118244206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).