N-[(Z)-1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide

C23H23N3O5 — CID 6005646

IUPACN-[(Z)-1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc(/C(C)=N\NC(=O)c3ccoc3C)c2)cc1OC
InChIInChI=1S/C23H23N3O5/c1-14(25-26-23(28)19-10-11-31-15(19)2)16-6-5-7-18(12-16)24-22(27)17-8-9-20(29-3)21(13-17)30-4/h5-13H,1-4H3,(H,24,27)(H,26,28)/b25-14-
InChIKeyFQYCUQSDNFVSKL-QFEZKATASA-N
MW421.45 g/mol
LogP4.01
Rot. Bonds7

About N-[(Z)-1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide

N-[(Z)-1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 6005646) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is N-[(Z)-1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
PubChem CID6005646
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC NameN-[(Z)-1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc(/C(C)=N\NC(=O)c3ccoc3C)c2)cc1OC
InChIInChI=1S/C23H23N3O5/c1-14(25-26-23(28)19-10-11-31-15(19)2)16-6-5-7-18(12-16)24-22(27)17-8-9-20(29-3)21(13-17)30-4/h5-13H,1-4H3,(H,24,27)(H,26,28)/b25-14-
InChIKeyFQYCUQSDNFVSKL-QFEZKATASA-N
XLogP4.01
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(Z)-1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-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-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 4121616
2-methyl-N-[3-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyrazole-3-carboxamide
CID 6006005
N-(3-acetylphenyl)-2-methylfuran-3-carboxamide
CID 896770
N-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide
CID 1039665
N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-methoxybenzamide
CID 6075800
3,4-dimethoxy-N-[3-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide
CID 6016904
N-[3-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide
CID 1009138
N-[4-[(E)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide
CID 5454909
N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 9359533
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide
CID 760187
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 3473890
N-[(E)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 5431788

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide (CID 6005646) is N-[(Z)-1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide is COc1ccc(C(=O)Nc2cccc(/C(C)=N\NC(=O)c3ccoc3C)c2)cc1OC.
What is the InChIKey of N-[(Z)-1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is FQYCUQSDNFVSKL-QFEZKATASA-N. The full InChI is InChI=1S/C23H23N3O5/c1-14(25-26-23(28)19-10-11-31-15(19)2)16-6-5-7-18(12-16)24-22(27)17-8-9-20(29-3)21(13-17)30-4/h5-13H,1-4H3,(H,24,27)(H,26,28)/b25-14-.
What are the key properties of N-[(Z)-1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide?
N-[(Z)-1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 421.45 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 6005646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).