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

C18H25N3O3 — CID 78808991

IUPACN-(4-butylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCCCCc1ccc(NC(=O)CCCN2C(=O)CN(C)C2=O)cc1
InChIInChI=1S/C18H25N3O3/c1-3-4-6-14-8-10-15(11-9-14)19-16(22)7-5-12-21-17(23)13-20(2)18(21)24/h8-11H,3-7,12-13H2,1-2H3,(H,19,22)
InChIKeyNOCKBIJWGZDEAN-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.64
Rot. Bonds8

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

N-(4-butylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide (PubChem CID 78808991) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
PubChem CID78808991
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-(4-butylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCCCCc1ccc(NC(=O)CCCN2C(=O)CN(C)C2=O)cc1
InChIInChI=1S/C18H25N3O3/c1-3-4-6-14-8-10-15(11-9-14)19-16(22)7-5-12-21-17(23)13-20(2)18(21)24/h8-11H,3-7,12-13H2,1-2H3,(H,19,22)
InChIKeyNOCKBIJWGZDEAN-UHFFFAOYSA-N
XLogP2.64
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 8777093
N-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2204148
N-(3,4-dimethylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18160401
N-[4-[ethyl(propan-2-yl)amino]phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 78807951
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-pyrazol-1-ylphenyl)butanamide
CID 78864304
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
N-(4-butylphenyl)-6-(1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)hexanamide
CID 73399864
N-(4-heptylphenyl)heptanamide
CID 101077737
N-(4-amino-3,5-dichlorophenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18208015
N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 9207191
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)butanamide
CID 9072319
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 9061629

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The IUPAC name of N-(4-butylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide (CID 78808991) is N-(4-butylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide.
What is the SMILES notation for N-(4-butylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The canonical SMILES for N-(4-butylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide is CCCCc1ccc(NC(=O)CCCN2C(=O)CN(C)C2=O)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The InChIKey is NOCKBIJWGZDEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-4-6-14-8-10-15(11-9-14)19-16(22)7-5-12-21-17(23)13-20(2)18(21)24/h8-11H,3-7,12-13H2,1-2H3,(H,19,22).
What are the key properties of N-(4-butylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
N-(4-butylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide has a molecular weight of 331.42 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide is sourced from PubChem (CID 78808991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).