N-benzyl-N-[2-(diethylamino)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide

C23H30N4O2 — CID 60598665

IUPACN-benzyl-N-[2-(diethylamino)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide
SMILESCCN(CC)CCN(Cc1ccccc1)C(=O)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C23H30N4O2/c1-3-25(4-2)16-17-26(18-19-8-6-5-7-9-19)22(28)20-10-12-21(13-11-20)27-15-14-24-23(27)29/h5-13H,3-4,14-18H2,1-2H3,(H,24,29)
InChIKeyAYNQPZGTVZEFON-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.20
Rot. Bonds9

About N-benzyl-N-[2-(diethylamino)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide

N-benzyl-N-[2-(diethylamino)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 60598665) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-benzyl-N-[2-(diethylamino)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(diethylamino)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID60598665
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-benzyl-N-[2-(diethylamino)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide
SMILESCCN(CC)CCN(Cc1ccccc1)C(=O)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C23H30N4O2/c1-3-25(4-2)16-17-26(18-19-8-6-5-7-9-19)22(28)20-10-12-21(13-11-20)27-15-14-24-23(27)29/h5-13H,3-4,14-18H2,1-2H3,(H,24,29)
InChIKeyAYNQPZGTVZEFON-UHFFFAOYSA-N
XLogP3.20
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(diethylamino)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-benzyl-N-[2-(diethylamino)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide (CID 60598665) is N-benzyl-N-[2-(diethylamino)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-benzyl-N-[2-(diethylamino)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-benzyl-N-[2-(diethylamino)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide is CCN(CC)CCN(Cc1ccccc1)C(=O)c1ccc(N2CCNC2=O)cc1.
What is the InChIKey of N-benzyl-N-[2-(diethylamino)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is AYNQPZGTVZEFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-3-25(4-2)16-17-26(18-19-8-6-5-7-9-19)22(28)20-10-12-21(13-11-20)27-15-14-24-23(27)29/h5-13H,3-4,14-18H2,1-2H3,(H,24,29).
What are the key properties of N-benzyl-N-[2-(diethylamino)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide?
N-benzyl-N-[2-(diethylamino)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 394.52 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(diethylamino)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 60598665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).