(5S)-5-tert-butyl-3-[2-(cyclopropylmethoxy)ethyl]-5-methylimidazolidine-2,4-dione

C14H24N2O3 — CID 99839743

IUPAC(5S)-5-tert-butyl-3-[2-(cyclopropylmethoxy)ethyl]-5-methylimidazolidine-2,4-dione
SMILESCC(C)(C)[C@]1(C)NC(=O)N(CCOCC2CC2)C1=O
InChIInChI=1S/C14H24N2O3/c1-13(2,3)14(4)11(17)16(12(18)15-14)7-8-19-9-10-5-6-10/h10H,5-9H2,1-4H3,(H,15,18)/t14-/m1/s1
InChIKeyDXLJCYWYPWLOIN-CQSZACIVSA-N
MW268.36 g/mol
LogP1.77
Rot. Bonds5

About (5S)-5-tert-butyl-3-[2-(cyclopropylmethoxy)ethyl]-5-methylimidazolidine-2,4-dione

(5S)-5-tert-butyl-3-[2-(cyclopropylmethoxy)ethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 99839743) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (5S)-5-tert-butyl-3-[2-(cyclopropylmethoxy)ethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-tert-butyl-3-[2-(cyclopropylmethoxy)ethyl]-5-methylimidazolidine-2,4-dione
PubChem CID99839743
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(5S)-5-tert-butyl-3-[2-(cyclopropylmethoxy)ethyl]-5-methylimidazolidine-2,4-dione
SMILESCC(C)(C)[C@]1(C)NC(=O)N(CCOCC2CC2)C1=O
InChIInChI=1S/C14H24N2O3/c1-13(2,3)14(4)11(17)16(12(18)15-14)7-8-19-9-10-5-6-10/h10H,5-9H2,1-4H3,(H,15,18)/t14-/m1/s1
InChIKeyDXLJCYWYPWLOIN-CQSZACIVSA-N
XLogP1.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-tert-butyl-3-[2-(cyclopropylmethoxy)ethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-tert-butyl-3-[2-(cyclopropylmethoxy)ethyl]-5-methylimidazolidine-2,4-dione (CID 99839743) is (5S)-5-tert-butyl-3-[2-(cyclopropylmethoxy)ethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-tert-butyl-3-[2-(cyclopropylmethoxy)ethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-tert-butyl-3-[2-(cyclopropylmethoxy)ethyl]-5-methylimidazolidine-2,4-dione is CC(C)(C)[C@]1(C)NC(=O)N(CCOCC2CC2)C1=O.
What is the InChIKey of (5S)-5-tert-butyl-3-[2-(cyclopropylmethoxy)ethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is DXLJCYWYPWLOIN-CQSZACIVSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-13(2,3)14(4)11(17)16(12(18)15-14)7-8-19-9-10-5-6-10/h10H,5-9H2,1-4H3,(H,15,18)/t14-/m1/s1.
What are the key properties of (5S)-5-tert-butyl-3-[2-(cyclopropylmethoxy)ethyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-tert-butyl-3-[2-(cyclopropylmethoxy)ethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 268.36 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-tert-butyl-3-[2-(cyclopropylmethoxy)ethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 99839743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).