N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide

C20H28N2O3 — CID 51163159

IUPACN-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NC(C)C2CC3CCC2C3)cc1
InChIInChI=1S/C20H28N2O3/c1-3-25-17-8-6-15(7-9-17)20(24)21-12-19(23)22-13(2)18-11-14-4-5-16(18)10-14/h6-9,13-14,16,18H,3-5,10-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyQGNRSPLUEBKQML-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.76
Rot. Bonds7

About N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide

N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide (PubChem CID 51163159) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide
PubChem CID51163159
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NC(C)C2CC3CCC2C3)cc1
InChIInChI=1S/C20H28N2O3/c1-3-25-17-8-6-15(7-9-17)20(24)21-12-19(23)22-13(2)18-11-14-4-5-16(18)10-14/h6-9,13-14,16,18H,3-5,10-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyQGNRSPLUEBKQML-UHFFFAOYSA-N
XLogP2.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide?
The IUPAC name of N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide (CID 51163159) is N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide?
The canonical SMILES for N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC(=O)NC(C)C2CC3CCC2C3)cc1.
What is the InChIKey of N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide?
The InChIKey is QGNRSPLUEBKQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-3-25-17-8-6-15(7-9-17)20(24)21-12-19(23)22-13(2)18-11-14-4-5-16(18)10-14/h6-9,13-14,16,18H,3-5,10-12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide?
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide has a molecular weight of 344.45 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide is sourced from PubChem (CID 51163159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).