2-(4-formyl-2,6-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide

C16H23NO3 — CID 7696271

IUPAC2-(4-formyl-2,6-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
SMILESCc1cc(C=O)cc(C)c1OCC(=O)N[C@H](C)C(C)C
InChIInChI=1S/C16H23NO3/c1-10(2)13(5)17-15(19)9-20-16-11(3)6-14(8-18)7-12(16)4/h6-8,10,13H,9H2,1-5H3,(H,17,19)/t13-/m1/s1
InChIKeyKSDRQQMXZBOTSO-CYBMUJFWSA-N
MW277.36 g/mol
LogP2.66
Rot. Bonds6

About 2-(4-formyl-2,6-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide

2-(4-formyl-2,6-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide (PubChem CID 7696271) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(4-formyl-2,6-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-formyl-2,6-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
PubChem CID7696271
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(4-formyl-2,6-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
SMILESCc1cc(C=O)cc(C)c1OCC(=O)N[C@H](C)C(C)C
InChIInChI=1S/C16H23NO3/c1-10(2)13(5)17-15(19)9-20-16-11(3)6-14(8-18)7-12(16)4/h6-8,10,13H,9H2,1-5H3,(H,17,19)/t13-/m1/s1
InChIKeyKSDRQQMXZBOTSO-CYBMUJFWSA-N
XLogP2.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyano-2,6-dimethylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 65472856
2-(4-formyl-2,6-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60627472
N-benzhydryl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 7696105
N-tert-butyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 7696240
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 4813283
N-cyclopropyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 26054636
N-[2,6-di(propan-2-yl)phenyl]-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 7696232
N-(3-methylbutan-2-yl)-2-(2,4,6-tribromophenoxy)acetamide
CID 42977194
2-[(6-formyl-3-pyridinyl)oxy]-N-(3-methylbutan-2-yl)acetamide
CID 79794063
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 112612258
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613
4-[10-(4-formyl-2,6-dimethylphenoxy)decoxy]-3,5-dimethylbenzaldehyde
CID 59072946

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyl-2,6-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-(4-formyl-2,6-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide (CID 7696271) is 2-(4-formyl-2,6-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(4-formyl-2,6-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-(4-formyl-2,6-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide is Cc1cc(C=O)cc(C)c1OCC(=O)N[C@H](C)C(C)C.
What is the InChIKey of 2-(4-formyl-2,6-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide?
The InChIKey is KSDRQQMXZBOTSO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23NO3/c1-10(2)13(5)17-15(19)9-20-16-11(3)6-14(8-18)7-12(16)4/h6-8,10,13H,9H2,1-5H3,(H,17,19)/t13-/m1/s1.
What are the key properties of 2-(4-formyl-2,6-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide?
2-(4-formyl-2,6-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide has a molecular weight of 277.36 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyl-2,6-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 7696271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).