[2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

C25H27NO4 — CID 16528316

IUPAC[2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESCC(=O)c1cccc(NC(=O)C(OC(=O)CC2CC3CCC2C3)c2ccccc2)c1
InChIInChI=1S/C25H27NO4/c1-16(27)19-8-5-9-22(14-19)26-25(29)24(18-6-3-2-4-7-18)30-23(28)15-21-13-17-10-11-20(21)12-17/h2-9,14,17,20-21,24H,10-13,15H2,1H3,(H,26,29)
InChIKeyUAGSCKPDOHBBEZ-UHFFFAOYSA-N
MW405.49 g/mol
LogP4.94
Rot. Bonds7

About [2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

[2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 16528316) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is [2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Name[2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID16528316
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Name[2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESCC(=O)c1cccc(NC(=O)C(OC(=O)CC2CC3CCC2C3)c2ccccc2)c1
InChIInChI=1S/C25H27NO4/c1-16(27)19-8-5-9-22(14-19)26-25(29)24(18-6-3-2-4-7-18)30-23(28)15-21-13-17-10-11-20(21)12-17/h2-9,14,17,20-21,24H,10-13,15H2,1H3,(H,26,29)
InChIKeyUAGSCKPDOHBBEZ-UHFFFAOYSA-N
XLogP4.94
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate with MolForge

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Related Compounds

[2-(3-acetylanilino)-2-oxo-1-phenylethyl] pentanoate
CID 16540185
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate
CID 7980213
[2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 4104729
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate
CID 8011293
N-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 18074570
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 3-hydroxybenzoate
CID 7789739
[2-(3-acetylanilino)-2-oxo-1-phenylethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 4016621
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 21175115
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 4-bromobenzoate
CID 2342428
(2-anilino-2-oxoethyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 23739831
(2-anilino-2-oxoethyl) 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 21174519
[2-(3-bromoanilino)-2-oxoethyl] 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11932916

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of [2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (CID 16528316) is [2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for [2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for [2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is CC(=O)c1cccc(NC(=O)C(OC(=O)CC2CC3CCC2C3)c2ccccc2)c1.
What is the InChIKey of [2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is UAGSCKPDOHBBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-16(27)19-8-5-9-22(14-19)26-25(29)24(18-6-3-2-4-7-18)30-23(28)15-21-13-17-10-11-20(21)12-17/h2-9,14,17,20-21,24H,10-13,15H2,1H3,(H,26,29).
What are the key properties of [2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
[2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 405.49 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 16528316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).