N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[1-(4-methoxyphenyl)ethyl]oxamide

C19H21N3O5 — CID 135411994

IUPACN'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[1-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1
InChIInChI=1S/C19H21N3O5/c1-12(14-5-7-15(26-2)8-6-14)21-18(24)19(25)22-20-11-13-4-9-16(23)17(10-13)27-3/h4-12,23H,1-3H3,(H,21,24)(H,22,25)/b20-11+
InChIKeyQPFNFFKYRZERFH-RGVLZGJSSA-N
MW371.39 g/mol
LogP1.74
Rot. Bonds6

About N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[1-(4-methoxyphenyl)ethyl]oxamide

N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[1-(4-methoxyphenyl)ethyl]oxamide (PubChem CID 135411994) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[1-(4-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[1-(4-methoxyphenyl)ethyl]oxamide
PubChem CID135411994
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[1-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1
InChIInChI=1S/C19H21N3O5/c1-12(14-5-7-15(26-2)8-6-14)21-18(24)19(25)22-20-11-13-4-9-16(23)17(10-13)27-3/h4-12,23H,1-3H3,(H,21,24)(H,22,25)/b20-11+
InChIKeyQPFNFFKYRZERFH-RGVLZGJSSA-N
XLogP1.74
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[1-(4-methoxyphenyl)ethyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 135699327
N-[1-(4-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methylideneamino]oxamide
CID 3250495
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135491260
N'-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8900503
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 8901068
1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974
(2R)-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 137172631
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 135716571
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4634005
N-butyl-N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 137085164
2-(4-bromophenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135615985
N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8932047

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[1-(4-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[1-(4-methoxyphenyl)ethyl]oxamide (CID 135411994) is N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[1-(4-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[1-(4-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[1-(4-methoxyphenyl)ethyl]oxamide is COc1ccc(C(C)NC(=O)C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1.
What is the InChIKey of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[1-(4-methoxyphenyl)ethyl]oxamide?
The InChIKey is QPFNFFKYRZERFH-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-12(14-5-7-15(26-2)8-6-14)21-18(24)19(25)22-20-11-13-4-9-16(23)17(10-13)27-3/h4-12,23H,1-3H3,(H,21,24)(H,22,25)/b20-11+.
What are the key properties of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[1-(4-methoxyphenyl)ethyl]oxamide?
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[1-(4-methoxyphenyl)ethyl]oxamide has a molecular weight of 371.39 g/mol, XLogP of 1.74, 6 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-methoxyphenyl)methylideneamino]-N-[1-(4-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 135411994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).