N-(4-tert-butylphenyl)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide

C18H25N3O3 — CID 9328180

IUPACN-(4-tert-butylphenyl)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
SMILESCC1(C)NC(=O)N(CCC(=O)Nc2ccc(C(C)(C)C)cc2)C1=O
InChIInChI=1S/C18H25N3O3/c1-17(2,3)12-6-8-13(9-7-12)19-14(22)10-11-21-15(23)18(4,5)20-16(21)24/h6-9H,10-11H2,1-5H3,(H,19,22)(H,20,24)
InChIKeyKYWUUHSWWYZOBL-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.64
Rot. Bonds4

About N-(4-tert-butylphenyl)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide

N-(4-tert-butylphenyl)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide (PubChem CID 9328180) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
PubChem CID9328180
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-(4-tert-butylphenyl)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
SMILESCC1(C)NC(=O)N(CCC(=O)Nc2ccc(C(C)(C)C)cc2)C1=O
InChIInChI=1S/C18H25N3O3/c1-17(2,3)12-6-8-13(9-7-12)19-14(22)10-11-21-15(23)18(4,5)20-16(21)24/h6-9H,10-11H2,1-5H3,(H,19,22)(H,20,24)
InChIKeyKYWUUHSWWYZOBL-UHFFFAOYSA-N
XLogP2.64
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-tert-butylphenyl)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide (CID 9328180) is N-(4-tert-butylphenyl)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide is CC1(C)NC(=O)N(CCC(=O)Nc2ccc(C(C)(C)C)cc2)C1=O.
What is the InChIKey of N-(4-tert-butylphenyl)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The InChIKey is KYWUUHSWWYZOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-17(2,3)12-6-8-13(9-7-12)19-14(22)10-11-21-15(23)18(4,5)20-16(21)24/h6-9H,10-11H2,1-5H3,(H,19,22)(H,20,24).
What are the key properties of N-(4-tert-butylphenyl)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
N-(4-tert-butylphenyl)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide has a molecular weight of 331.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide is sourced from PubChem (CID 9328180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).