3-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione

C14H23N3O3 — CID 2884424

IUPAC3-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESC=CCN(CC=C)CC(O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C14H23N3O3/c1-5-7-16(8-6-2)9-11(18)10-17-12(19)14(3,4)15-13(17)20/h5-6,11,18H,1-2,7-10H2,3-4H3,(H,15,20)
InChIKeyYLQNFBJDVGCRMB-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.35
Rot. Bonds8

About 3-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione

3-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 2884424) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID2884424
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESC=CCN(CC=C)CC(O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C14H23N3O3/c1-5-7-16(8-6-2)9-11(18)10-17-12(19)14(3,4)15-13(17)20/h5-6,11,18H,1-2,7-10H2,3-4H3,(H,15,20)
InChIKeyYLQNFBJDVGCRMB-UHFFFAOYSA-N
XLogP0.35
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione (CID 2884424) is 3-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione is C=CCN(CC=C)CC(O)CN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is YLQNFBJDVGCRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-5-7-16(8-6-2)9-11(18)10-17-12(19)14(3,4)15-13(17)20/h5-6,11,18H,1-2,7-10H2,3-4H3,(H,15,20).
What are the key properties of 3-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 281.36 g/mol, XLogP of 0.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 2884424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).