[1-methoxy-3-[4-methoxy-N-(2-phenylethyl)anilino]-1,3-dioxopropan-2-yl]iminoazanide

C19H20N3O4- — CID 10021089

IUPAC[1-methoxy-3-[4-methoxy-N-(2-phenylethyl)anilino]-1,3-dioxopropan-2-yl]iminoazanide
SMILESCOC(=O)C(N=[N-])C(=O)N(CCc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C19H20N3O4/c1-25-16-10-8-15(9-11-16)22(13-12-14-6-4-3-5-7-14)18(23)17(21-20)19(24)26-2/h3-11,17H,12-13H2,1-2H3/q-1
InChIKeyHJHRPFRAMCWQRZ-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.83
Rot. Bonds8

About [1-methoxy-3-[4-methoxy-N-(2-phenylethyl)anilino]-1,3-dioxopropan-2-yl]iminoazanide

[1-methoxy-3-[4-methoxy-N-(2-phenylethyl)anilino]-1,3-dioxopropan-2-yl]iminoazanide (PubChem CID 10021089) has the molecular formula C19H20N3O4- and a molecular weight of 354.39 g/mol. Its IUPAC name is [1-methoxy-3-[4-methoxy-N-(2-phenylethyl)anilino]-1,3-dioxopropan-2-yl]iminoazanide.

Molecular Properties

Compound Name[1-methoxy-3-[4-methoxy-N-(2-phenylethyl)anilino]-1,3-dioxopropan-2-yl]iminoazanide
PubChem CID10021089
Molecular FormulaC19H20N3O4-
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name[1-methoxy-3-[4-methoxy-N-(2-phenylethyl)anilino]-1,3-dioxopropan-2-yl]iminoazanide
SMILESCOC(=O)C(N=[N-])C(=O)N(CCc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C19H20N3O4/c1-25-16-10-8-15(9-11-16)22(13-12-14-6-4-3-5-7-14)18(23)17(21-20)19(24)26-2/h3-11,17H,12-13H2,1-2H3/q-1
InChIKeyHJHRPFRAMCWQRZ-UHFFFAOYSA-N
XLogP2.83
TPSA90.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-methoxy-3-[4-methoxy-N-(2-phenylethyl)anilino]-1,3-dioxopropan-2-yl]iminoazanide?
The IUPAC name of [1-methoxy-3-[4-methoxy-N-(2-phenylethyl)anilino]-1,3-dioxopropan-2-yl]iminoazanide (CID 10021089) is [1-methoxy-3-[4-methoxy-N-(2-phenylethyl)anilino]-1,3-dioxopropan-2-yl]iminoazanide.
What is the SMILES notation for [1-methoxy-3-[4-methoxy-N-(2-phenylethyl)anilino]-1,3-dioxopropan-2-yl]iminoazanide?
The canonical SMILES for [1-methoxy-3-[4-methoxy-N-(2-phenylethyl)anilino]-1,3-dioxopropan-2-yl]iminoazanide is COC(=O)C(N=[N-])C(=O)N(CCc1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of [1-methoxy-3-[4-methoxy-N-(2-phenylethyl)anilino]-1,3-dioxopropan-2-yl]iminoazanide?
The InChIKey is HJHRPFRAMCWQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N3O4/c1-25-16-10-8-15(9-11-16)22(13-12-14-6-4-3-5-7-14)18(23)17(21-20)19(24)26-2/h3-11,17H,12-13H2,1-2H3/q-1.
What are the key properties of [1-methoxy-3-[4-methoxy-N-(2-phenylethyl)anilino]-1,3-dioxopropan-2-yl]iminoazanide?
[1-methoxy-3-[4-methoxy-N-(2-phenylethyl)anilino]-1,3-dioxopropan-2-yl]iminoazanide has a molecular weight of 354.39 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methoxy-3-[4-methoxy-N-(2-phenylethyl)anilino]-1,3-dioxopropan-2-yl]iminoazanide is sourced from PubChem (CID 10021089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).