(NE)-N-[(2-phenylimidazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine

C19H23N3O4 — CID 87276471

IUPAC(NE)-N-[(2-phenylimidazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine
SMILESCOc1cc(/C(=N\O)C2CNC(c3ccccc3)N2)cc(OC)c1OC
InChIInChI=1S/C19H23N3O4/c1-24-15-9-13(10-16(25-2)18(15)26-3)17(22-23)14-11-20-19(21-14)12-7-5-4-6-8-12/h4-10,14,19-21,23H,11H2,1-3H3/b22-17+
InChIKeyGWWAEOSWGRNYFA-OQKWZONESA-N
MW357.41 g/mol
LogP2.15
Rot. Bonds6

About (NE)-N-[(2-phenylimidazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine

(NE)-N-[(2-phenylimidazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine (PubChem CID 87276471) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is (NE)-N-[(2-phenylimidazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2-phenylimidazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine
PubChem CID87276471
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name(NE)-N-[(2-phenylimidazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine
SMILESCOc1cc(/C(=N\O)C2CNC(c3ccccc3)N2)cc(OC)c1OC
InChIInChI=1S/C19H23N3O4/c1-24-15-9-13(10-16(25-2)18(15)26-3)17(22-23)14-11-20-19(21-14)12-7-5-4-6-8-12/h4-10,14,19-21,23H,11H2,1-3H3/b22-17+
InChIKeyGWWAEOSWGRNYFA-OQKWZONESA-N
XLogP2.15
TPSA84.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (NE)-N-[(2-phenylimidazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2-phenylimidazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine (CID 87276471) is (NE)-N-[(2-phenylimidazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2-phenylimidazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2-phenylimidazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine is COc1cc(/C(=N\O)C2CNC(c3ccccc3)N2)cc(OC)c1OC.
What is the InChIKey of (NE)-N-[(2-phenylimidazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine?
The InChIKey is GWWAEOSWGRNYFA-OQKWZONESA-N. The full InChI is InChI=1S/C19H23N3O4/c1-24-15-9-13(10-16(25-2)18(15)26-3)17(22-23)14-11-20-19(21-14)12-7-5-4-6-8-12/h4-10,14,19-21,23H,11H2,1-3H3/b22-17+.
What are the key properties of (NE)-N-[(2-phenylimidazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine?
(NE)-N-[(2-phenylimidazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine has a molecular weight of 357.41 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-phenylimidazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 87276471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).