N-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide

C15H19N3O4 — CID 8777093

IUPACN-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCN2C(=O)CN(C)C2=O)cc1
InChIInChI=1S/C15H19N3O4/c1-17-10-14(20)18(15(17)21)9-3-4-13(19)16-11-5-7-12(22-2)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,16,19)
InChIKeyCKXMOEDGORHKBM-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.31
Rot. Bonds6

About N-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide

N-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide (PubChem CID 8777093) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
PubChem CID8777093
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC NameN-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCN2C(=O)CN(C)C2=O)cc1
InChIInChI=1S/C15H19N3O4/c1-17-10-14(20)18(15(17)21)9-3-4-13(19)16-11-5-7-12(22-2)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,16,19)
InChIKeyCKXMOEDGORHKBM-UHFFFAOYSA-N
XLogP1.31
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide (CID 8777093) is N-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide is COc1ccc(NC(=O)CCCN2C(=O)CN(C)C2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The InChIKey is CKXMOEDGORHKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-17-10-14(20)18(15(17)21)9-3-4-13(19)16-11-5-7-12(22-2)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,16,19).
What are the key properties of N-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
N-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide has a molecular weight of 305.33 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide is sourced from PubChem (CID 8777093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).