N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide

C21H21N3O5 — CID 42959580

IUPACN-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(Nc1cccc(N2C(=O)CNC2=O)c1)c1ccccc1OCC1CCCO1
InChIInChI=1S/C21H21N3O5/c25-19-12-22-21(27)24(19)15-6-3-5-14(11-15)23-20(26)17-8-1-2-9-18(17)29-13-16-7-4-10-28-16/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,22,27)(H,23,26)
InChIKeyFQJGBTIMZVNOEA-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.55
Rot. Bonds6

About N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide

N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide (PubChem CID 42959580) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide
PubChem CID42959580
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC NameN-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(Nc1cccc(N2C(=O)CNC2=O)c1)c1ccccc1OCC1CCCO1
InChIInChI=1S/C21H21N3O5/c25-19-12-22-21(27)24(19)15-6-3-5-14(11-15)23-20(26)17-8-1-2-9-18(17)29-13-16-7-4-10-28-16/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,22,27)(H,23,26)
InChIKeyFQJGBTIMZVNOEA-UHFFFAOYSA-N
XLogP2.55
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 18103402
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(2-phenylethoxy)benzamide
CID 17141950
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide
CID 17141891
2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41444704
2-fluoro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17141893
N-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 42923990
N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38477709
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethoxy)benzamide
CID 42923993
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
N-(2-benzylpyrazol-3-yl)-2-(oxolan-2-ylmethoxy)benzamide
CID 24535045
2-(oxolan-2-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 46445892
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide (CID 42959580) is N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide is O=C(Nc1cccc(N2C(=O)CNC2=O)c1)c1ccccc1OCC1CCCO1.
What is the InChIKey of N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is FQJGBTIMZVNOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c25-19-12-22-21(27)24(19)15-6-3-5-14(11-15)23-20(26)17-8-1-2-9-18(17)29-13-16-7-4-10-28-16/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,22,27)(H,23,26).
What are the key properties of N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide?
N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 395.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 42959580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).