(5R)-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione

C19H26N2O4 — CID 97339227

IUPAC(5R)-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)N[C@H](C(C)C)C2=O)c(OC[C@H]2CCOC2)c1
InChIInChI=1S/C19H26N2O4/c1-12(2)17-18(22)21(19(23)20-17)9-15-5-4-13(3)8-16(15)25-11-14-6-7-24-10-14/h4-5,8,12,14,17H,6-7,9-11H2,1-3H3,(H,20,23)/t14-,17+/m0/s1
InChIKeyGUKWSBWVAPVARL-WMLDXEAASA-N
MW346.43 g/mol
LogP2.49
Rot. Bonds6

About (5R)-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione

(5R)-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 97339227) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (5R)-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID97339227
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(5R)-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)N[C@H](C(C)C)C2=O)c(OC[C@H]2CCOC2)c1
InChIInChI=1S/C19H26N2O4/c1-12(2)17-18(22)21(19(23)20-17)9-15-5-4-13(3)8-16(15)25-11-14-6-7-24-10-14/h4-5,8,12,14,17H,6-7,9-11H2,1-3H3,(H,20,23)/t14-,17+/m0/s1
InChIKeyGUKWSBWVAPVARL-WMLDXEAASA-N
XLogP2.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione (CID 97339227) is (5R)-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione is Cc1ccc(CN2C(=O)N[C@H](C(C)C)C2=O)c(OC[C@H]2CCOC2)c1.
What is the InChIKey of (5R)-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is GUKWSBWVAPVARL-WMLDXEAASA-N. The full InChI is InChI=1S/C19H26N2O4/c1-12(2)17-18(22)21(19(23)20-17)9-15-5-4-13(3)8-16(15)25-11-14-6-7-24-10-14/h4-5,8,12,14,17H,6-7,9-11H2,1-3H3,(H,20,23)/t14-,17+/m0/s1.
What are the key properties of (5R)-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione?
(5R)-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 346.43 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 97339227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).