3-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C14H26N4O3 — CID 63309791

IUPAC3-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2CCCN(CCO)CC2)C1=O
InChIInChI=1S/C14H26N4O3/c1-14(2)12(20)18(13(21)15-14)9-8-16-4-3-5-17(7-6-16)10-11-19/h19H,3-11H2,1-2H3,(H,15,21)
InChIKeyHOODJBLONVRABN-UHFFFAOYSA-N
MW298.39 g/mol
LogP-0.68
Rot. Bonds5

About 3-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 63309791) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID63309791
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name3-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2CCCN(CCO)CC2)C1=O
InChIInChI=1S/C14H26N4O3/c1-14(2)12(20)18(13(21)15-14)9-8-16-4-3-5-17(7-6-16)10-11-19/h19H,3-11H2,1-2H3,(H,15,21)
InChIKeyHOODJBLONVRABN-UHFFFAOYSA-N
XLogP-0.68
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-aminopiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43556669
3-[2-[4-(furan-3-carbonyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 34955514
3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 62020103
3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 63595701
5,5-dimethyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 56811818
5,5-dimethyl-3-[2-[3-(methylamino)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride
CID 119905680
ethyl 4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]piperazine-1-carboxylate
CID 47029520
3-(2-hydroxyethyl)-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 151331542
3,3-dimethyl-1-(2-pyrrolidin-1-ylethyl)-4H-quinoxalin-2-one
CID 82157117
3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 120772406
5,5-dimethyl-3-[2-(2-oxocyclopentyl)ethyl]imidazolidine-2,4-dione
CID 79569142
5,5-dimethyl-3-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]imidazolidine-2,4-dione
CID 95575935

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 63309791) is 3-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCN2CCCN(CCO)CC2)C1=O.
What is the InChIKey of 3-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is HOODJBLONVRABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-14(2)12(20)18(13(21)15-14)9-8-16-4-3-5-17(7-6-16)10-11-19/h19H,3-11H2,1-2H3,(H,15,21).
What are the key properties of 3-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 298.39 g/mol, XLogP of -0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 63309791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).