N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]prop-2-enamide

C11H17N3O3 — CID 59054190

IUPACN-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(C)(C)CC1(C)NC(=O)NC1=O
InChIInChI=1S/C11H17N3O3/c1-5-7(15)13-10(2,3)6-11(4)8(16)12-9(17)14-11/h5H,1,6H2,2-4H3,(H,13,15)(H2,12,14,16,17)
InChIKeyMBCBJDOYAQPEGX-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.06
Rot. Bonds4

About N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]prop-2-enamide

N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]prop-2-enamide (PubChem CID 59054190) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]prop-2-enamide
PubChem CID59054190
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(C)(C)CC1(C)NC(=O)NC1=O
InChIInChI=1S/C11H17N3O3/c1-5-7(15)13-10(2,3)6-11(4)8(16)12-9(17)14-11/h5H,1,6H2,2-4H3,(H,13,15)(H2,12,14,16,17)
InChIKeyMBCBJDOYAQPEGX-UHFFFAOYSA-N
XLogP0.06
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]prop-2-enamide?
The IUPAC name of N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]prop-2-enamide (CID 59054190) is N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]prop-2-enamide.
What is the SMILES notation for N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]prop-2-enamide?
The canonical SMILES for N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]prop-2-enamide is C=CC(=O)NC(C)(C)CC1(C)NC(=O)NC1=O.
What is the InChIKey of N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]prop-2-enamide?
The InChIKey is MBCBJDOYAQPEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-5-7(15)13-10(2,3)6-11(4)8(16)12-9(17)14-11/h5H,1,6H2,2-4H3,(H,13,15)(H2,12,14,16,17).
What are the key properties of N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]prop-2-enamide?
N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]prop-2-enamide has a molecular weight of 239.27 g/mol, XLogP of 0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]prop-2-enamide is sourced from PubChem (CID 59054190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).