3-(4-hydroxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]propanamide

C19H22N2O5 — CID 2796637

IUPAC3-(4-hydroxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
SMILESCOc1cc(C=NNC(=O)CCc2ccc(O)cc2)cc(OC)c1OC
InChIInChI=1S/C19H22N2O5/c1-24-16-10-14(11-17(25-2)19(16)26-3)12-20-21-18(23)9-6-13-4-7-15(22)8-5-13/h4-5,7-8,10-12,22H,6,9H2,1-3H3,(H,21,23)
InChIKeyLZBLNNNVTBTXAL-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.50
Rot. Bonds8

About 3-(4-hydroxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]propanamide

3-(4-hydroxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]propanamide (PubChem CID 2796637) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
PubChem CID2796637
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name3-(4-hydroxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
SMILESCOc1cc(C=NNC(=O)CCc2ccc(O)cc2)cc(OC)c1OC
InChIInChI=1S/C19H22N2O5/c1-24-16-10-14(11-17(25-2)19(16)26-3)12-20-21-18(23)9-6-13-4-7-15(22)8-5-13/h4-5,7-8,10-12,22H,6,9H2,1-3H3,(H,21,23)
InChIKeyLZBLNNNVTBTXAL-UHFFFAOYSA-N
XLogP2.50
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 3-(4-hydroxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]propanamide?
The IUPAC name of 3-(4-hydroxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]propanamide (CID 2796637) is 3-(4-hydroxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-(4-hydroxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-(4-hydroxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]propanamide is COc1cc(C=NNC(=O)CCc2ccc(O)cc2)cc(OC)c1OC.
What is the InChIKey of 3-(4-hydroxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]propanamide?
The InChIKey is LZBLNNNVTBTXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-24-16-10-14(11-17(25-2)19(16)26-3)12-20-21-18(23)9-6-13-4-7-15(22)8-5-13/h4-5,7-8,10-12,22H,6,9H2,1-3H3,(H,21,23).
What are the key properties of 3-(4-hydroxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]propanamide?
3-(4-hydroxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]propanamide has a molecular weight of 358.39 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 2796637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).