N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]oxane-4-carboxamide

C22H31N3O4 — CID 110200219

IUPACN-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]oxane-4-carboxamide
SMILESO=C1CC(c2ccccc2)N(C(=O)CNC(=O)C2CCOCC2)CCCCCN1
InChIInChI=1S/C22H31N3O4/c26-20-15-19(17-7-3-1-4-8-17)25(12-6-2-5-11-23-20)21(27)16-24-22(28)18-9-13-29-14-10-18/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H,23,26)(H,24,28)
InChIKeyJCIQWKKMOHEXKW-UHFFFAOYSA-N
MW401.51 g/mol
LogP1.79
Rot. Bonds4

About N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]oxane-4-carboxamide

N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]oxane-4-carboxamide (PubChem CID 110200219) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]oxane-4-carboxamide
PubChem CID110200219
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC NameN-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]oxane-4-carboxamide
SMILESO=C1CC(c2ccccc2)N(C(=O)CNC(=O)C2CCOCC2)CCCCCN1
InChIInChI=1S/C22H31N3O4/c26-20-15-19(17-7-3-1-4-8-17)25(12-6-2-5-11-23-20)21(27)16-24-22(28)18-9-13-29-14-10-18/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H,23,26)(H,24,28)
InChIKeyJCIQWKKMOHEXKW-UHFFFAOYSA-N
XLogP1.79
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]oxane-4-carboxamide (CID 110200219) is N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]oxane-4-carboxamide is O=C1CC(c2ccccc2)N(C(=O)CNC(=O)C2CCOCC2)CCCCCN1.
What is the InChIKey of N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]oxane-4-carboxamide?
The InChIKey is JCIQWKKMOHEXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4/c26-20-15-19(17-7-3-1-4-8-17)25(12-6-2-5-11-23-20)21(27)16-24-22(28)18-9-13-29-14-10-18/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H,23,26)(H,24,28).
What are the key properties of N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]oxane-4-carboxamide?
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]oxane-4-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 110200219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).