N-[2-[[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide

C20H17N3O5 — CID 136739218

IUPACN-[2-[[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide
SMILESCOc1cccc(/C=N\NC(=O)c2ccccc2NC(=O)c2ccco2)c1O
InChIInChI=1S/C20H17N3O5/c1-27-16-9-4-6-13(18(16)24)12-21-23-19(25)14-7-2-3-8-15(14)22-20(26)17-10-5-11-28-17/h2-12,24H,1H3,(H,22,26)(H,23,25)/b21-12-
InChIKeyYEMYSAYZSLJRMI-MTJSOVHGSA-N
MW379.37 g/mol
LogP3.01
Rot. Bonds6

About N-[2-[[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide

N-[2-[[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 136739218) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is N-[2-[[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID136739218
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC NameN-[2-[[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide
SMILESCOc1cccc(/C=N\NC(=O)c2ccccc2NC(=O)c2ccco2)c1O
InChIInChI=1S/C20H17N3O5/c1-27-16-9-4-6-13(18(16)24)12-21-23-19(25)14-7-2-3-8-15(14)22-20(26)17-10-5-11-28-17/h2-12,24H,1H3,(H,22,26)(H,23,25)/b21-12-
InChIKeyYEMYSAYZSLJRMI-MTJSOVHGSA-N
XLogP3.01
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide 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-[2-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide
CID 137045088
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 3644481
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3632483
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 135717463
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 4201940
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide
CID 5056113
N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide
CID 135472749
2-chloro-N-[4-[[(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 1246601
N-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891
4-acetamido-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749454
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 135642156

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide (CID 136739218) is N-[2-[[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide is COc1cccc(/C=N\NC(=O)c2ccccc2NC(=O)c2ccco2)c1O.
What is the InChIKey of N-[2-[[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is YEMYSAYZSLJRMI-MTJSOVHGSA-N. The full InChI is InChI=1S/C20H17N3O5/c1-27-16-9-4-6-13(18(16)24)12-21-23-19(25)14-7-2-3-8-15(14)22-20(26)17-10-5-11-28-17/h2-12,24H,1H3,(H,22,26)(H,23,25)/b21-12-.
What are the key properties of N-[2-[[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide?
N-[2-[[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 379.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 136739218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).