2-(2-acetamidophenoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide

C20H28N2O3 — CID 100845442

IUPAC2-(2-acetamidophenoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C20H28N2O3/c1-13(23)21-15-7-5-6-8-16(15)25-12-18(24)22-17-11-14-9-10-20(17,4)19(14,2)3/h5-8,14,17H,9-12H2,1-4H3,(H,21,23)(H,22,24)/t14-,17+,20-/m1/s1
InChIKeyWJOJOKGDUAVGCC-CFLQYTFWSA-N
MW344.45 g/mol
LogP3.35
Rot. Bonds5

About 2-(2-acetamidophenoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide

2-(2-acetamidophenoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide (PubChem CID 100845442) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-(2-acetamidophenoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide.

Molecular Properties

Compound Name2-(2-acetamidophenoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
PubChem CID100845442
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name2-(2-acetamidophenoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C20H28N2O3/c1-13(23)21-15-7-5-6-8-16(15)25-12-18(24)22-17-11-14-9-10-20(17,4)19(14,2)3/h5-8,14,17H,9-12H2,1-4H3,(H,21,23)(H,22,24)/t14-,17+,20-/m1/s1
InChIKeyWJOJOKGDUAVGCC-CFLQYTFWSA-N
XLogP3.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-formylphenoxy)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 24525991
2-(2-acetamidophenoxy)-N-cyclooctylacetamide
CID 17457791
2-(3-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 62499999
3-(2-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide;hydrochloride
CID 120607988
2-(2-acetamidophenoxy)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7867185
2,2-diphenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 4635743
2-(2-acetamidophenoxy)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7867259
1-(3-phenylprop-2-ynyl)-3-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
CID 98311818
2-(2-oxoquinoxalin-1-yl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98785403
3-formamido-2-hydroxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 90024528
dimethyl-[3-oxo-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propyl]azanium
CID 23350702
2-(2-acetamidophenoxy)-N-(2-ethylphenyl)acetamide
CID 7867330

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The IUPAC name of 2-(2-acetamidophenoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide (CID 100845442) is 2-(2-acetamidophenoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide.
What is the SMILES notation for 2-(2-acetamidophenoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The canonical SMILES for 2-(2-acetamidophenoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide is CC(=O)Nc1ccccc1OCC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C.
What is the InChIKey of 2-(2-acetamidophenoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The InChIKey is WJOJOKGDUAVGCC-CFLQYTFWSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-13(23)21-15-7-5-6-8-16(15)25-12-18(24)22-17-11-14-9-10-20(17,4)19(14,2)3/h5-8,14,17H,9-12H2,1-4H3,(H,21,23)(H,22,24)/t14-,17+,20-/m1/s1.
What are the key properties of 2-(2-acetamidophenoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
2-(2-acetamidophenoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide has a molecular weight of 344.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenoxy)-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide is sourced from PubChem (CID 100845442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).