(5S)-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-5-propylimidazolidine-2,4-dione

C16H23N3O2 — CID 9104468

IUPAC(5S)-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@H]1NC(=O)N(CN(C)Cc2ccc(C)cc2)C1=O
InChIInChI=1S/C16H23N3O2/c1-4-5-14-15(20)19(16(21)17-14)11-18(3)10-13-8-6-12(2)7-9-13/h6-9,14H,4-5,10-11H2,1-3H3,(H,17,21)/t14-/m0/s1
InChIKeyRCHPUSMZMQJURJ-AWEZNQCLSA-N
MW289.38 g/mol
LogP2.10
Rot. Bonds6

About (5S)-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-5-propylimidazolidine-2,4-dione

(5S)-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-5-propylimidazolidine-2,4-dione (PubChem CID 9104468) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (5S)-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-5-propylimidazolidine-2,4-dione
PubChem CID9104468
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(5S)-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@H]1NC(=O)N(CN(C)Cc2ccc(C)cc2)C1=O
InChIInChI=1S/C16H23N3O2/c1-4-5-14-15(20)19(16(21)17-14)11-18(3)10-13-8-6-12(2)7-9-13/h6-9,14H,4-5,10-11H2,1-3H3,(H,17,21)/t14-/m0/s1
InChIKeyRCHPUSMZMQJURJ-AWEZNQCLSA-N
XLogP2.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-5-propylimidazolidine-2,4-dione (CID 9104468) is (5S)-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-5-propylimidazolidine-2,4-dione is CCC[C@@H]1NC(=O)N(CN(C)Cc2ccc(C)cc2)C1=O.
What is the InChIKey of (5S)-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is RCHPUSMZMQJURJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-5-14-15(20)19(16(21)17-14)11-18(3)10-13-8-6-12(2)7-9-13/h6-9,14H,4-5,10-11H2,1-3H3,(H,17,21)/t14-/m0/s1.
What are the key properties of (5S)-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-5-propylimidazolidine-2,4-dione?
(5S)-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 289.38 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 9104468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).