3-[3-(dibutylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione

C16H31N3O3 — CID 2884173

IUPAC3-[3-(dibutylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCCCN(CCCC)CC(O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C16H31N3O3/c1-5-7-9-18(10-8-6-2)11-13(20)12-19-14(21)16(3,4)17-15(19)22/h13,20H,5-12H2,1-4H3,(H,17,22)
InChIKeyCNDSKHYFTTZFHX-UHFFFAOYSA-N
MW313.44 g/mol
LogP1.58
Rot. Bonds10

About 3-[3-(dibutylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione

3-[3-(dibutylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 2884173) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is 3-[3-(dibutylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(dibutylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID2884173
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Name3-[3-(dibutylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCCCN(CCCC)CC(O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C16H31N3O3/c1-5-7-9-18(10-8-6-2)11-13(20)12-19-14(21)16(3,4)17-15(19)22/h13,20H,5-12H2,1-4H3,(H,17,22)
InChIKeyCNDSKHYFTTZFHX-UHFFFAOYSA-N
XLogP1.58
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 99605
CID 99605
CID 647728
CID 647728
CID 650277
CID 650277
CID 2909095
CID 2909095
CID 3133125
CID 3133125
CID 648961
CID 648961
CID 2909886
CID 2909886
CID 652154
CID 652154
CID 3145439
CID 3145439
CID 2884424
CID 2884424
CID 2907686
CID 2907686
CID 10932517
CID 10932517

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dibutylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-(dibutylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione (CID 2884173) is 3-[3-(dibutylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(dibutylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(dibutylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione is CCCCN(CCCC)CC(O)CN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-[3-(dibutylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is CNDSKHYFTTZFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-5-7-9-18(10-8-6-2)11-13(20)12-19-14(21)16(3,4)17-15(19)22/h13,20H,5-12H2,1-4H3,(H,17,22).
What are the key properties of 3-[3-(dibutylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[3-(dibutylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 313.44 g/mol, XLogP of 1.58, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dibutylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 2884173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).