N-cyclohexyl-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide

C17H23N3O4 — CID 135411910

IUPACN-cyclohexyl-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
SMILESCOc1cc(/C=N/NC(=O)CC(=O)NC2CCCCC2)ccc1O
InChIInChI=1S/C17H23N3O4/c1-24-15-9-12(7-8-14(15)21)11-18-20-17(23)10-16(22)19-13-5-3-2-4-6-13/h7-9,11,13,21H,2-6,10H2,1H3,(H,19,22)(H,20,23)/b18-11+
InChIKeyRZHWYGFDZUESMY-WOJGMQOQSA-N
MW333.39 g/mol
LogP1.69
Rot. Bonds6

About N-cyclohexyl-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide

N-cyclohexyl-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide (PubChem CID 135411910) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-cyclohexyl-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
PubChem CID135411910
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-cyclohexyl-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
SMILESCOc1cc(/C=N/NC(=O)CC(=O)NC2CCCCC2)ccc1O
InChIInChI=1S/C17H23N3O4/c1-24-15-9-12(7-8-14(15)21)11-18-20-17(23)10-16(22)19-13-5-3-2-4-6-13/h7-9,11,13,21H,2-6,10H2,1H3,(H,19,22)(H,20,23)/b18-11+
InChIKeyRZHWYGFDZUESMY-WOJGMQOQSA-N
XLogP1.69
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.69
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-cyclohexyl-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide?
The IUPAC name of N-cyclohexyl-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide (CID 135411910) is N-cyclohexyl-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-cyclohexyl-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide?
The canonical SMILES for N-cyclohexyl-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide is COc1cc(/C=N/NC(=O)CC(=O)NC2CCCCC2)ccc1O.
What is the InChIKey of N-cyclohexyl-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide?
The InChIKey is RZHWYGFDZUESMY-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-24-15-9-12(7-8-14(15)21)11-18-20-17(23)10-16(22)19-13-5-3-2-4-6-13/h7-9,11,13,21H,2-6,10H2,1H3,(H,19,22)(H,20,23)/b18-11+.
What are the key properties of N-cyclohexyl-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide?
N-cyclohexyl-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide has a molecular weight of 333.39 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 135411910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).