(5R)-3,5-dimethyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione

C16H22N2O3 — CID 691223

IUPAC(5R)-3,5-dimethyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione
SMILESCC(C)CCOc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1
InChIInChI=1S/C16H22N2O3/c1-11(2)9-10-21-13-7-5-12(6-8-13)16(3)14(19)18(4)15(20)17-16/h5-8,11H,9-10H2,1-4H3,(H,17,20)/t16-/m1/s1
InChIKeyJBJCGGGFBCHIAW-MRXNPFEDSA-N
MW290.36 g/mol
LogP2.51
Rot. Bonds5

About (5R)-3,5-dimethyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione

(5R)-3,5-dimethyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 691223) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (5R)-3,5-dimethyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3,5-dimethyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione
PubChem CID691223
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(5R)-3,5-dimethyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione
SMILESCC(C)CCOc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1
InChIInChI=1S/C16H22N2O3/c1-11(2)9-10-21-13-7-5-12(6-8-13)16(3)14(19)18(4)15(20)17-16/h5-8,11H,9-10H2,1-4H3,(H,17,20)/t16-/m1/s1
InChIKeyJBJCGGGFBCHIAW-MRXNPFEDSA-N
XLogP2.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione
CID 2835308
(5S)-3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione
CID 838462
3,5-dimethyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 60585647
5-methyl-5-[4-(5-methylhexoxy)phenyl]imidazolidine-2,4-dione
CID 3324909
(5S)-5-methyl-5-[4-(7-methyloctoxy)phenyl]imidazolidine-2,4-dione
CID 6569964
4-[2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]ethoxy]benzonitrile
CID 46816762
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 2443511
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 2443513
5-(4-chlorophenyl)-5-methyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 4671924
(5R)-3-[3-(4-methoxyphenoxy)propyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 38853269
(5R)-3-[2-(4-bromophenoxy)ethyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2093930
(5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 52517969

Frequently Asked Questions

What is the IUPAC name of (5R)-3,5-dimethyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3,5-dimethyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione (CID 691223) is (5R)-3,5-dimethyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3,5-dimethyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3,5-dimethyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione is CC(C)CCOc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1.
What is the InChIKey of (5R)-3,5-dimethyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is JBJCGGGFBCHIAW-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)9-10-21-13-7-5-12(6-8-13)16(3)14(19)18(4)15(20)17-16/h5-8,11H,9-10H2,1-4H3,(H,17,20)/t16-/m1/s1.
What are the key properties of (5R)-3,5-dimethyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione?
(5R)-3,5-dimethyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 290.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,5-dimethyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 691223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).