N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide

C19H27N3O5 — CID 135840021

IUPACN'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
SMILESC=CCc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(OC)c1O
InChIInChI=1S/C19H27N3O5/c1-5-7-15-10-14(11-16(26-4)17(15)23)12-21-22-19(25)18(24)20-8-6-9-27-13(2)3/h5,10-13,23H,1,6-9H2,2-4H3,(H,20,24)(H,22,25)/b21-12+
InChIKeyWFXGEVMAUAFQPK-CIAFOILYSA-N
MW377.44 g/mol
LogP1.51
Rot. Bonds10

About N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide

N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide (PubChem CID 135840021) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
PubChem CID135840021
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC NameN'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
SMILESC=CCc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(OC)c1O
InChIInChI=1S/C19H27N3O5/c1-5-7-15-10-14(11-16(26-4)17(15)23)12-21-22-19(25)18(24)20-8-6-9-27-13(2)3/h5,10-13,23H,1,6-9H2,2-4H3,(H,20,24)(H,22,25)/b21-12+
InChIKeyWFXGEVMAUAFQPK-CIAFOILYSA-N
XLogP1.51
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N'-[(E)-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]oxamide
CID 135840035
N'-[(E)-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-N-(2-methoxyethyl)oxamide
CID 135840022
N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]oxamide
CID 135840005
N-(3-propan-2-yloxypropyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989348
4-fluoro-N-[1-[(2E)-2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 135715682
(2R)-2-(2,4-dichlorophenoxy)-N-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]propanamide
CID 988326
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 135646994
N'-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 3687046
(E)-2-cyano-3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 124669994
N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 135684476
N-(4-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]propanediamide
CID 135716370
N-(2-bromophenyl)-N'-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-2-methylpropanediamide
CID 3636163

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide?
The IUPAC name of N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide (CID 135840021) is N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide.
What is the SMILES notation for N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide?
The canonical SMILES for N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide is C=CCc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(OC)c1O.
What is the InChIKey of N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide?
The InChIKey is WFXGEVMAUAFQPK-CIAFOILYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-5-7-15-10-14(11-16(26-4)17(15)23)12-21-22-19(25)18(24)20-8-6-9-27-13(2)3/h5,10-13,23H,1,6-9H2,2-4H3,(H,20,24)(H,22,25)/b21-12+.
What are the key properties of N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide?
N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide has a molecular weight of 377.44 g/mol, XLogP of 1.51, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide is sourced from PubChem (CID 135840021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).