3-[4-[(E)-N-[(E)-but-2-enoxy]-C-methylcarbonimidoyl]phenyl]-1-prop-2-enylimidazolidine-2,4-dione

C18H21N3O3 — CID 19849569

IUPAC3-[4-[(E)-N-[(E)-but-2-enoxy]-C-methylcarbonimidoyl]phenyl]-1-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1CC(=O)N(c2ccc(/C(C)=N/OC/C=C/C)cc2)C1=O
InChIInChI=1S/C18H21N3O3/c1-4-6-12-24-19-14(3)15-7-9-16(10-8-15)21-17(22)13-20(11-5-2)18(21)23/h4-10H,2,11-13H2,1,3H3/b6-4+,19-14+
InChIKeyOSFIHCSLQANJLF-WUHNXWHMSA-N
MW327.38 g/mol
LogP2.96
Rot. Bonds7

About 3-[4-[(E)-N-[(E)-but-2-enoxy]-C-methylcarbonimidoyl]phenyl]-1-prop-2-enylimidazolidine-2,4-dione

3-[4-[(E)-N-[(E)-but-2-enoxy]-C-methylcarbonimidoyl]phenyl]-1-prop-2-enylimidazolidine-2,4-dione (PubChem CID 19849569) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[4-[(E)-N-[(E)-but-2-enoxy]-C-methylcarbonimidoyl]phenyl]-1-prop-2-enylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-[(E)-N-[(E)-but-2-enoxy]-C-methylcarbonimidoyl]phenyl]-1-prop-2-enylimidazolidine-2,4-dione
PubChem CID19849569
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-[4-[(E)-N-[(E)-but-2-enoxy]-C-methylcarbonimidoyl]phenyl]-1-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1CC(=O)N(c2ccc(/C(C)=N/OC/C=C/C)cc2)C1=O
InChIInChI=1S/C18H21N3O3/c1-4-6-12-24-19-14(3)15-7-9-16(10-8-15)21-17(22)13-20(11-5-2)18(21)23/h4-10H,2,11-13H2,1,3H3/b6-4+,19-14+
InChIKeyOSFIHCSLQANJLF-WUHNXWHMSA-N
XLogP2.96
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(E)-N-[(E)-but-2-enoxy]-C-methylcarbonimidoyl]phenyl]-1-prop-2-enylimidazolidine-2,4-dione?
The IUPAC name of 3-[4-[(E)-N-[(E)-but-2-enoxy]-C-methylcarbonimidoyl]phenyl]-1-prop-2-enylimidazolidine-2,4-dione (CID 19849569) is 3-[4-[(E)-N-[(E)-but-2-enoxy]-C-methylcarbonimidoyl]phenyl]-1-prop-2-enylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-[(E)-N-[(E)-but-2-enoxy]-C-methylcarbonimidoyl]phenyl]-1-prop-2-enylimidazolidine-2,4-dione?
The canonical SMILES for 3-[4-[(E)-N-[(E)-but-2-enoxy]-C-methylcarbonimidoyl]phenyl]-1-prop-2-enylimidazolidine-2,4-dione is C=CCN1CC(=O)N(c2ccc(/C(C)=N/OC/C=C/C)cc2)C1=O.
What is the InChIKey of 3-[4-[(E)-N-[(E)-but-2-enoxy]-C-methylcarbonimidoyl]phenyl]-1-prop-2-enylimidazolidine-2,4-dione?
The InChIKey is OSFIHCSLQANJLF-WUHNXWHMSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-4-6-12-24-19-14(3)15-7-9-16(10-8-15)21-17(22)13-20(11-5-2)18(21)23/h4-10H,2,11-13H2,1,3H3/b6-4+,19-14+.
What are the key properties of 3-[4-[(E)-N-[(E)-but-2-enoxy]-C-methylcarbonimidoyl]phenyl]-1-prop-2-enylimidazolidine-2,4-dione?
3-[4-[(E)-N-[(E)-but-2-enoxy]-C-methylcarbonimidoyl]phenyl]-1-prop-2-enylimidazolidine-2,4-dione has a molecular weight of 327.38 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(E)-N-[(E)-but-2-enoxy]-C-methylcarbonimidoyl]phenyl]-1-prop-2-enylimidazolidine-2,4-dione is sourced from PubChem (CID 19849569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).