[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

C20H26N2O4 — CID 55449115

IUPAC[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESNC(=O)CCN(C(=O)COC(=O)CC1CC2CCC1C2)c1ccccc1
InChIInChI=1S/C20H26N2O4/c21-18(23)8-9-22(17-4-2-1-3-5-17)19(24)13-26-20(25)12-16-11-14-6-7-15(16)10-14/h1-5,14-16H,6-13H2,(H2,21,23)
InChIKeyZIHOEFSVGXCQRP-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.26
Rot. Bonds8

About [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 55449115) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Name[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID55449115
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESNC(=O)CCN(C(=O)COC(=O)CC1CC2CCC1C2)c1ccccc1
InChIInChI=1S/C20H26N2O4/c21-18(23)8-9-22(17-4-2-1-3-5-17)19(24)13-26-20(25)12-16-11-14-6-7-15(16)10-14/h1-5,14-16H,6-13H2,(H2,21,23)
InChIKeyZIHOEFSVGXCQRP-UHFFFAOYSA-N
XLogP2.26
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate with MolForge

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Related Compounds

(2-anilino-2-oxoethyl) 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 21174519
(2-anilino-2-oxoethyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 23739831
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11932785
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 37325499
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 46644800
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11932872
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-benzoylbenzoate
CID 24526690
[4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxymethyl]phenyl]methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 23850335
[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11929122
3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide
CID 119275160
N-(3-amino-3-sulfanylidenepropyl)-N-phenylbicyclo[2.2.1]heptane-2-carboxamide
CID 61365927
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 37324858

Frequently Asked Questions

What is the IUPAC name of [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (CID 55449115) is [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is NC(=O)CCN(C(=O)COC(=O)CC1CC2CCC1C2)c1ccccc1.
What is the InChIKey of [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is ZIHOEFSVGXCQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c21-18(23)8-9-22(17-4-2-1-3-5-17)19(24)13-26-20(25)12-16-11-14-6-7-15(16)10-14/h1-5,14-16H,6-13H2,(H2,21,23).
What are the key properties of [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 358.44 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 55449115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).