N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-3-carboxamide

C21H25N3O4 — CID 110200186

IUPACN-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-3-carboxamide
SMILESO=C1CC(c2ccccc2)N(C(=O)CNC(=O)c2ccoc2)CCCCCN1
InChIInChI=1S/C21H25N3O4/c25-19-13-18(16-7-3-1-4-8-16)24(11-6-2-5-10-22-19)20(26)14-23-21(27)17-9-12-28-15-17/h1,3-4,7-9,12,15,18H,2,5-6,10-11,13-14H2,(H,22,25)(H,23,27)
InChIKeyPRQVSADTYGEESZ-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.27
Rot. Bonds4

About N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-3-carboxamide

N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-3-carboxamide (PubChem CID 110200186) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-3-carboxamide
PubChem CID110200186
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-3-carboxamide
SMILESO=C1CC(c2ccccc2)N(C(=O)CNC(=O)c2ccoc2)CCCCCN1
InChIInChI=1S/C21H25N3O4/c25-19-13-18(16-7-3-1-4-8-16)24(11-6-2-5-10-22-19)20(26)14-23-21(27)17-9-12-28-15-17/h1,3-4,7-9,12,15,18H,2,5-6,10-11,13-14H2,(H,22,25)(H,23,27)
InChIKeyPRQVSADTYGEESZ-UHFFFAOYSA-N
XLogP2.27
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]furan-2-carboxamide
CID 110202267
6-methyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]pyridine-3-carboxamide
CID 110202252
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]cyclohexanecarboxamide
CID 110200185
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-pyridin-4-ylacetamide
CID 110200231
1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-3-phenylurea
CID 110200269
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-1H-indole-2-carboxamide
CID 110200196
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide
CID 110200267
2-cyclopentyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]acetamide
CID 110202264
2-(1H-indol-3-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide
CID 110200203
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110200266
N-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]furan-3-carboxamide
CID 71942102
2,6-dimethoxy-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyridine-3-carboxamide
CID 110200188

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-3-carboxamide (CID 110200186) is N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-3-carboxamide is O=C1CC(c2ccccc2)N(C(=O)CNC(=O)c2ccoc2)CCCCCN1.
What is the InChIKey of N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-3-carboxamide?
The InChIKey is PRQVSADTYGEESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c25-19-13-18(16-7-3-1-4-8-16)24(11-6-2-5-10-22-19)20(26)14-23-21(27)17-9-12-28-15-17/h1,3-4,7-9,12,15,18H,2,5-6,10-11,13-14H2,(H,22,25)(H,23,27).
What are the key properties of N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-3-carboxamide?
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-3-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.27, 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]furan-3-carboxamide is sourced from PubChem (CID 110200186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).