5,5-diethyl-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]imidazolidine-2,4-dione

C19H26N2O4 — CID 97253201

IUPAC5,5-diethyl-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(Cc2ccc(OC[C@@H]3CCCO3)cc2)C1=O
InChIInChI=1S/C19H26N2O4/c1-3-19(4-2)17(22)21(18(23)20-19)12-14-7-9-15(10-8-14)25-13-16-6-5-11-24-16/h7-10,16H,3-6,11-13H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyHXDKRKPJTQYNPD-INIZCTEOSA-N
MW346.43 g/mol
LogP2.86
Rot. Bonds7

About 5,5-diethyl-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]imidazolidine-2,4-dione

5,5-diethyl-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 97253201) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 5,5-diethyl-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]imidazolidine-2,4-dione
PubChem CID97253201
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name5,5-diethyl-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(Cc2ccc(OC[C@@H]3CCCO3)cc2)C1=O
InChIInChI=1S/C19H26N2O4/c1-3-19(4-2)17(22)21(18(23)20-19)12-14-7-9-15(10-8-14)25-13-16-6-5-11-24-16/h7-10,16H,3-6,11-13H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyHXDKRKPJTQYNPD-INIZCTEOSA-N
XLogP2.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,5-diethyl-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43214097
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanesulfonamide
CID 47070193
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 54798939
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]butan-1-amine
CID 54797389
(3R)-5-oxo-1-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 94032967
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
4-methyl-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120909762
1-ethyl-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]cyclobutane-1-carboxamide
CID 95974545
2-[(4-iodophenoxy)methyl]oxolane
CID 60644314
[4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine
CID 43174548
2-[3-oxo-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperazin-2-yl]acetohydrazide
CID 54847688
N-methyl-4-(oxolan-2-ylmethoxy)aniline
CID 54803460

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-diethyl-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]imidazolidine-2,4-dione (CID 97253201) is 5,5-diethyl-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diethyl-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diethyl-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]imidazolidine-2,4-dione is CCC1(CC)NC(=O)N(Cc2ccc(OC[C@@H]3CCCO3)cc2)C1=O.
What is the InChIKey of 5,5-diethyl-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is HXDKRKPJTQYNPD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-3-19(4-2)17(22)21(18(23)20-19)12-14-7-9-15(10-8-14)25-13-16-6-5-11-24-16/h7-10,16H,3-6,11-13H2,1-2H3,(H,20,23)/t16-/m0/s1.
What are the key properties of 5,5-diethyl-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]imidazolidine-2,4-dione?
5,5-diethyl-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 346.43 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 97253201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).