N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide

C18H19N3O4 — CID 135788644

IUPACN'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
SMILESCOc1ccccc1NC(=O)CCC(=O)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C18H19N3O4/c1-25-16-5-3-2-4-15(16)20-17(23)10-11-18(24)21-19-12-13-6-8-14(22)9-7-13/h2-9,12,22H,10-11H2,1H3,(H,20,23)(H,21,24)/b19-12+
InChIKeyGNQVUBZKQUPSBV-XDHOZWIPSA-N
MW341.37 g/mol
LogP2.27
Rot. Bonds7

About N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide

N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide (PubChem CID 135788644) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide.

Molecular Properties

Compound NameN'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
PubChem CID135788644
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
SMILESCOc1ccccc1NC(=O)CCC(=O)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C18H19N3O4/c1-25-16-5-3-2-4-15(16)20-17(23)10-11-18(24)21-19-12-13-6-8-14(22)9-7-13/h2-9,12,22H,10-11H2,1H3,(H,20,23)(H,21,24)/b19-12+
InChIKeyGNQVUBZKQUPSBV-XDHOZWIPSA-N
XLogP2.27
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 135684538
N'-[(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3615821
N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 135606237
N-(2-fluorophenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 135704400
N-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide
CID 3591287
N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221
N'-[(3-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 4264592
N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 135684476
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 3962833
N-(2-bromophenyl)-N'-[(Z)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6018291
2-(2-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 6910807
N'-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-N-(2-methoxyphenyl)propanediamide
CID 135625822

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide?
The IUPAC name of N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide (CID 135788644) is N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide.
What is the SMILES notation for N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide?
The canonical SMILES for N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide is COc1ccccc1NC(=O)CCC(=O)N/N=C/c1ccc(O)cc1.
What is the InChIKey of N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide?
The InChIKey is GNQVUBZKQUPSBV-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-25-16-5-3-2-4-15(16)20-17(23)10-11-18(24)21-19-12-13-6-8-14(22)9-7-13/h2-9,12,22H,10-11H2,1H3,(H,20,23)(H,21,24)/b19-12+.
What are the key properties of N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide?
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide has a molecular weight of 341.37 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide is sourced from PubChem (CID 135788644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).