[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

C19H25NO3 — CID 4992070

IUPAC[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESCc1ccc(C)c(NC(=O)COC(=O)CC2CC3CCC2C3)c1
InChIInChI=1S/C19H25NO3/c1-12-3-4-13(2)17(7-12)20-18(21)11-23-19(22)10-16-9-14-5-6-15(16)8-14/h3-4,7,14-16H,5-6,8-11H2,1-2H3,(H,20,21)
InChIKeyUFUZRXUTDKLBTE-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.61
Rot. Bonds5

About [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 4992070) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Name[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID4992070
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESCc1ccc(C)c(NC(=O)COC(=O)CC2CC3CCC2C3)c1
InChIInChI=1S/C19H25NO3/c1-12-3-4-13(2)17(7-12)20-18(21)11-23-19(22)10-16-9-14-5-6-15(16)8-14/h3-4,7,14-16H,5-6,8-11H2,1-2H3,(H,20,21)
InChIKeyUFUZRXUTDKLBTE-UHFFFAOYSA-N
XLogP3.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)bicyclo[2.2.1]heptane-3-carboxamide
CID 2886682
[2-Oxo-2-(4-propan-2-ylanilino)ethyl] 2-cyclopentylacetate
CID 2343268
[2-(2-Fluoroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 4230491
[2-Oxo-2-(4-propan-2-ylanilino)ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 4348741
[2-(2-Ethyl-6-methylanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 8233956
[2-(2-Methylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 1690080
[2-Oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 2379220
[2-(3,5-Dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2432299
2-Phenylbutanoic acid [2-oxo-2-(2-phenylanilino)ethyl] ester
CID 4014963
[2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4085368
[2-(4-Fluoroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4225943
(6,7-dimethyl-9-oxatricyclo[4.3.0.0<3,7>]nonyl)-N-(2-methylphenyl)carboxamide
CID 4350533

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (CID 4992070) is [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is Cc1ccc(C)c(NC(=O)COC(=O)CC2CC3CCC2C3)c1.
What is the InChIKey of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is UFUZRXUTDKLBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-12-3-4-13(2)17(7-12)20-18(21)11-23-19(22)10-16-9-14-5-6-15(16)8-14/h3-4,7,14-16H,5-6,8-11H2,1-2H3,(H,20,21).
What are the key properties of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 315.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 4992070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).