4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]butanamide

C24H27N3O5 — CID 166355327

IUPAC4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]butanamide
SMILESCC1(C)NC(=O)N(c2cccc(NC(=O)CCCc3ccc4c(c3)OCCCO4)c2)C1=O
InChIInChI=1S/C24H27N3O5/c1-24(2)22(29)27(23(30)26-24)18-8-4-7-17(15-18)25-21(28)9-3-6-16-10-11-19-20(14-16)32-13-5-12-31-19/h4,7-8,10-11,14-15H,3,5-6,9,12-13H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyGEFJDDGPPVZGKB-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.64
Rot. Bonds6

About 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]butanamide

4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]butanamide (PubChem CID 166355327) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]butanamide
PubChem CID166355327
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Name4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]butanamide
SMILESCC1(C)NC(=O)N(c2cccc(NC(=O)CCCc3ccc4c(c3)OCCCO4)c2)C1=O
InChIInChI=1S/C24H27N3O5/c1-24(2)22(29)27(23(30)26-24)18-8-4-7-17(15-18)25-21(28)9-3-6-16-10-11-19-20(14-16)32-13-5-12-31-19/h4,7-8,10-11,14-15H,3,5-6,9,12-13H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyGEFJDDGPPVZGKB-UHFFFAOYSA-N
XLogP3.64
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]butanamide?
The IUPAC name of 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]butanamide (CID 166355327) is 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]butanamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]butanamide?
The canonical SMILES for 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]butanamide is CC1(C)NC(=O)N(c2cccc(NC(=O)CCCc3ccc4c(c3)OCCCO4)c2)C1=O.
What is the InChIKey of 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]butanamide?
The InChIKey is GEFJDDGPPVZGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-24(2)22(29)27(23(30)26-24)18-8-4-7-17(15-18)25-21(28)9-3-6-16-10-11-19-20(14-16)32-13-5-12-31-19/h4,7-8,10-11,14-15H,3,5-6,9,12-13H2,1-2H3,(H,25,28)(H,26,30).
What are the key properties of 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]butanamide?
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]butanamide has a molecular weight of 437.50 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]butanamide is sourced from PubChem (CID 166355327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).