N-[2-oxo-2-[[2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl]amino]ethyl]benzamide

C24H26N4O4 — CID 3862367

IUPACN-[2-oxo-2-[[2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCC(=O)N1CCCN1C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C24H26N4O4/c29-20(16-26-22(31)18-8-3-1-4-9-18)25-17-21(30)27-14-7-15-28(27)23(32)24(12-13-24)19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2,(H,25,29)(H,26,31)
InChIKeyILIFURKQHXPCRG-UHFFFAOYSA-N
MW434.50 g/mol
LogP1.24
Rot. Bonds7

About N-[2-oxo-2-[[2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl]amino]ethyl]benzamide

N-[2-oxo-2-[[2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl]amino]ethyl]benzamide (PubChem CID 3862367) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[2-oxo-2-[[2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl]amino]ethyl]benzamide
PubChem CID3862367
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-[2-oxo-2-[[2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCC(=O)N1CCCN1C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C24H26N4O4/c29-20(16-26-22(31)18-8-3-1-4-9-18)25-17-21(30)27-14-7-15-28(27)23(32)24(12-13-24)19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2,(H,25,29)(H,26,31)
InChIKeyILIFURKQHXPCRG-UHFFFAOYSA-N
XLogP1.24
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl]amino]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[[2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl]amino]ethyl]benzamide (CID 3862367) is N-[2-oxo-2-[[2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[[2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[[2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl]amino]ethyl]benzamide is O=C(CNC(=O)c1ccccc1)NCC(=O)N1CCCN1C(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-[2-oxo-2-[[2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl]amino]ethyl]benzamide?
The InChIKey is ILIFURKQHXPCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c29-20(16-26-22(31)18-8-3-1-4-9-18)25-17-21(30)27-14-7-15-28(27)23(32)24(12-13-24)19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2,(H,25,29)(H,26,31).
What are the key properties of N-[2-oxo-2-[[2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl]amino]ethyl]benzamide?
N-[2-oxo-2-[[2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl]amino]ethyl]benzamide has a molecular weight of 434.50 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl]amino]ethyl]benzamide is sourced from PubChem (CID 3862367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).