3-(2,5-dioxoimidazolidin-1-yl)-N-[4-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]propanamide

C25H22N4O4 — CID 55732487

IUPAC3-(2,5-dioxoimidazolidin-1-yl)-N-[4-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]propanamide
SMILESO=C(C=Cc1cccc2ccccc12)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1
InChIInChI=1S/C25H22N4O4/c30-22(13-8-18-6-3-5-17-4-1-2-7-21(17)18)27-19-9-11-20(12-10-19)28-23(31)14-15-29-24(32)16-26-25(29)33/h1-13H,14-16H2,(H,26,33)(H,27,30)(H,28,31)
InChIKeyAMTNSIVCGILFIA-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.37
Rot. Bonds7

About 3-(2,5-dioxoimidazolidin-1-yl)-N-[4-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]propanamide

3-(2,5-dioxoimidazolidin-1-yl)-N-[4-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]propanamide (PubChem CID 55732487) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is 3-(2,5-dioxoimidazolidin-1-yl)-N-[4-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxoimidazolidin-1-yl)-N-[4-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]propanamide
PubChem CID55732487
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Name3-(2,5-dioxoimidazolidin-1-yl)-N-[4-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]propanamide
SMILESO=C(C=Cc1cccc2ccccc12)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1
InChIInChI=1S/C25H22N4O4/c30-22(13-8-18-6-3-5-17-4-1-2-7-21(17)18)27-19-9-11-20(12-10-19)28-23(31)14-15-29-24(32)16-26-25(29)33/h1-13H,14-16H2,(H,26,33)(H,27,30)(H,28,31)
InChIKeyAMTNSIVCGILFIA-UHFFFAOYSA-N
XLogP3.37
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 102534918
N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 680988
3-bromo-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide
CID 55965072
3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 5177921
N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(trifluoromethyl)benzamide
CID 55732950
3-naphthalen-1-yl-N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]prop-2-enamide
CID 71890191
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-4-(4-methylphenyl)butanamide
CID 55963287
N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]prop-2-enamide
CID 101136088
3-naphthalen-1-yl-N-[4-(phenylsulfamoyl)phenyl]prop-2-enamide
CID 5157349
(Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 92949912
(E)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 6239949

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxoimidazolidin-1-yl)-N-[4-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]propanamide?
The IUPAC name of 3-(2,5-dioxoimidazolidin-1-yl)-N-[4-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]propanamide (CID 55732487) is 3-(2,5-dioxoimidazolidin-1-yl)-N-[4-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxoimidazolidin-1-yl)-N-[4-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]propanamide?
The canonical SMILES for 3-(2,5-dioxoimidazolidin-1-yl)-N-[4-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]propanamide is O=C(C=Cc1cccc2ccccc12)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1.
What is the InChIKey of 3-(2,5-dioxoimidazolidin-1-yl)-N-[4-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]propanamide?
The InChIKey is AMTNSIVCGILFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c30-22(13-8-18-6-3-5-17-4-1-2-7-21(17)18)27-19-9-11-20(12-10-19)28-23(31)14-15-29-24(32)16-26-25(29)33/h1-13H,14-16H2,(H,26,33)(H,27,30)(H,28,31).
What are the key properties of 3-(2,5-dioxoimidazolidin-1-yl)-N-[4-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]propanamide?
3-(2,5-dioxoimidazolidin-1-yl)-N-[4-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]propanamide has a molecular weight of 442.48 g/mol, XLogP of 3.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxoimidazolidin-1-yl)-N-[4-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]propanamide is sourced from PubChem (CID 55732487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).