(4-methoxyphenyl)methyl (5S)-2-imino-4-oxo-5-propylimidazolidine-1-carboxylate

C15H19N3O4 — CID 177416163

IUPAC(4-methoxyphenyl)methyl (5S)-2-imino-4-oxo-5-propylimidazolidine-1-carboxylate
SMILES[H]/N=C1\NC(=O)[C@H](CCC)N1C(=O)OCc1ccc(OC)cc1
InChIInChI=1S/C15H19N3O4/c1-3-4-12-13(19)17-14(16)18(12)15(20)22-9-10-5-7-11(21-2)8-6-10/h5-8,12H,3-4,9H2,1-2H3,(H2,16,17,19)/t12-/m0/s1
InChIKeyOBUVKIUJOZCACA-LBPRGKRZSA-N
MW305.33 g/mol
LogP1.87
Rot. Bonds5

About (4-methoxyphenyl)methyl (5S)-2-imino-4-oxo-5-propylimidazolidine-1-carboxylate

(4-methoxyphenyl)methyl (5S)-2-imino-4-oxo-5-propylimidazolidine-1-carboxylate (PubChem CID 177416163) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl (5S)-2-imino-4-oxo-5-propylimidazolidine-1-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl (5S)-2-imino-4-oxo-5-propylimidazolidine-1-carboxylate
PubChem CID177416163
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name(4-methoxyphenyl)methyl (5S)-2-imino-4-oxo-5-propylimidazolidine-1-carboxylate
SMILES[H]/N=C1\NC(=O)[C@H](CCC)N1C(=O)OCc1ccc(OC)cc1
InChIInChI=1S/C15H19N3O4/c1-3-4-12-13(19)17-14(16)18(12)15(20)22-9-10-5-7-11(21-2)8-6-10/h5-8,12H,3-4,9H2,1-2H3,(H2,16,17,19)/t12-/m0/s1
InChIKeyOBUVKIUJOZCACA-LBPRGKRZSA-N
XLogP1.87
TPSA91.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl (5S)-2-imino-4-oxo-5-propylimidazolidine-1-carboxylate?
The IUPAC name of (4-methoxyphenyl)methyl (5S)-2-imino-4-oxo-5-propylimidazolidine-1-carboxylate (CID 177416163) is (4-methoxyphenyl)methyl (5S)-2-imino-4-oxo-5-propylimidazolidine-1-carboxylate.
What is the SMILES notation for (4-methoxyphenyl)methyl (5S)-2-imino-4-oxo-5-propylimidazolidine-1-carboxylate?
The canonical SMILES for (4-methoxyphenyl)methyl (5S)-2-imino-4-oxo-5-propylimidazolidine-1-carboxylate is [H]/N=C1\NC(=O)[C@H](CCC)N1C(=O)OCc1ccc(OC)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl (5S)-2-imino-4-oxo-5-propylimidazolidine-1-carboxylate?
The InChIKey is OBUVKIUJOZCACA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-3-4-12-13(19)17-14(16)18(12)15(20)22-9-10-5-7-11(21-2)8-6-10/h5-8,12H,3-4,9H2,1-2H3,(H2,16,17,19)/t12-/m0/s1.
What are the key properties of (4-methoxyphenyl)methyl (5S)-2-imino-4-oxo-5-propylimidazolidine-1-carboxylate?
(4-methoxyphenyl)methyl (5S)-2-imino-4-oxo-5-propylimidazolidine-1-carboxylate has a molecular weight of 305.33 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl (5S)-2-imino-4-oxo-5-propylimidazolidine-1-carboxylate is sourced from PubChem (CID 177416163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).