N-benzyl-3-[2-(ethylamino)-2-oxoethoxy]benzamide

C18H20N2O3 — CID 2084777

IUPACN-benzyl-3-[2-(ethylamino)-2-oxoethoxy]benzamide
SMILESCCNC(=O)COc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-2-19-17(21)13-23-16-10-6-9-15(11-16)18(22)20-12-14-7-4-3-5-8-14/h3-11H,2,12-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyKQLQANLLZHWFGV-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.13
Rot. Bonds7

About N-benzyl-3-[2-(ethylamino)-2-oxoethoxy]benzamide

N-benzyl-3-[2-(ethylamino)-2-oxoethoxy]benzamide (PubChem CID 2084777) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-benzyl-3-[2-(ethylamino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(ethylamino)-2-oxoethoxy]benzamide
PubChem CID2084777
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-benzyl-3-[2-(ethylamino)-2-oxoethoxy]benzamide
SMILESCCNC(=O)COc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-2-19-17(21)13-23-16-10-6-9-15(11-16)18(22)20-12-14-7-4-3-5-8-14/h3-11H,2,12-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyKQLQANLLZHWFGV-UHFFFAOYSA-N
XLogP2.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-(ethylamino)-2-oxoethoxy]benzamide?
The IUPAC name of N-benzyl-3-[2-(ethylamino)-2-oxoethoxy]benzamide (CID 2084777) is N-benzyl-3-[2-(ethylamino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-benzyl-3-[2-(ethylamino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-benzyl-3-[2-(ethylamino)-2-oxoethoxy]benzamide is CCNC(=O)COc1cccc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-[2-(ethylamino)-2-oxoethoxy]benzamide?
The InChIKey is KQLQANLLZHWFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-19-17(21)13-23-16-10-6-9-15(11-16)18(22)20-12-14-7-4-3-5-8-14/h3-11H,2,12-13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-benzyl-3-[2-(ethylamino)-2-oxoethoxy]benzamide?
N-benzyl-3-[2-(ethylamino)-2-oxoethoxy]benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-(ethylamino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 2084777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).