N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide

C19H21N3O4 — CID 135411907

IUPACN'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
SMILESCOc1cc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)ccc1O
InChIInChI=1S/C19H21N3O4/c1-26-17-11-15(7-8-16(17)23)13-21-22-19(25)12-18(24)20-10-9-14-5-3-2-4-6-14/h2-8,11,13,23H,9-10,12H2,1H3,(H,20,24)(H,22,25)/b21-13-
InChIKeyZDPBCSLGSZHFPA-BKUYFWCQSA-N
MW355.39 g/mol
LogP1.60
Rot. Bonds8

About N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide

N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide (PubChem CID 135411907) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide.

Molecular Properties

Compound NameN'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
PubChem CID135411907
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
SMILESCOc1cc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)ccc1O
InChIInChI=1S/C19H21N3O4/c1-26-17-11-15(7-8-16(17)23)13-21-22-19(25)12-18(24)20-10-9-14-5-3-2-4-6-14/h2-8,11,13,23H,9-10,12H2,1H3,(H,20,24)(H,22,25)/b21-13-
InChIKeyZDPBCSLGSZHFPA-BKUYFWCQSA-N
XLogP1.60
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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 N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide?
The IUPAC name of N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide (CID 135411907) is N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide.
What is the SMILES notation for N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide?
The canonical SMILES for N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide is COc1cc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)ccc1O.
What is the InChIKey of N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide?
The InChIKey is ZDPBCSLGSZHFPA-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-26-17-11-15(7-8-16(17)23)13-21-22-19(25)12-18(24)20-10-9-14-5-3-2-4-6-14/h2-8,11,13,23H,9-10,12H2,1H3,(H,20,24)(H,22,25)/b21-13-.
What are the key properties of N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide?
N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide has a molecular weight of 355.39 g/mol, XLogP of 1.60, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide is sourced from PubChem (CID 135411907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).