N-(furan-2-ylmethylideneamino)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide

C24H26N4O3 — CID 3451411

IUPACN-(furan-2-ylmethylideneamino)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide
SMILESCOc1ccccc1N1CCN(Cc2ccc(C(=O)NN=Cc3ccco3)cc2)CC1
InChIInChI=1S/C24H26N4O3/c1-30-23-7-3-2-6-22(23)28-14-12-27(13-15-28)18-19-8-10-20(11-9-19)24(29)26-25-17-21-5-4-16-31-21/h2-11,16-17H,12-15,18H2,1H3,(H,26,29)
InChIKeyOMWMMWPGDRAXDT-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.37
Rot. Bonds7

About N-(furan-2-ylmethylideneamino)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide

N-(furan-2-ylmethylideneamino)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide (PubChem CID 3451411) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide
PubChem CID3451411
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-(furan-2-ylmethylideneamino)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide
SMILESCOc1ccccc1N1CCN(Cc2ccc(C(=O)NN=Cc3ccco3)cc2)CC1
InChIInChI=1S/C24H26N4O3/c1-30-23-7-3-2-6-22(23)28-14-12-27(13-15-28)18-19-8-10-20(11-9-19)24(29)26-25-17-21-5-4-16-31-21/h2-11,16-17H,12-15,18H2,1H3,(H,26,29)
InChIKeyOMWMMWPGDRAXDT-UHFFFAOYSA-N
XLogP3.37
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
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'}

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Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(furan-2-ylmethylideneamino)benzamide
CID 3525389
N-[(Z)-furan-2-ylmethylideneamino]-4-[(2-methoxyphenoxy)methyl]benzamide
CID 5430494
N-[(Z)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 6029525
4-[(4-benzylpiperazin-1-yl)methyl]-N-[(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 3750438
N-[(4-tert-butylcyclohexylidene)amino]-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 126189667
N-[(Z)-furan-2-ylmethylideneamino]-4-methoxybenzamide
CID 5372129
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide
CID 46054193
N-[[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 5100342
N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 124578511
(Z)-1-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine
CID 5415041
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46043442

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide (CID 3451411) is N-(furan-2-ylmethylideneamino)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide is COc1ccccc1N1CCN(Cc2ccc(C(=O)NN=Cc3ccco3)cc2)CC1.
What is the InChIKey of N-(furan-2-ylmethylideneamino)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is OMWMMWPGDRAXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-30-23-7-3-2-6-22(23)28-14-12-27(13-15-28)18-19-8-10-20(11-9-19)24(29)26-25-17-21-5-4-16-31-21/h2-11,16-17H,12-15,18H2,1H3,(H,26,29).
What are the key properties of N-(furan-2-ylmethylideneamino)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide?
N-(furan-2-ylmethylideneamino)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 418.50 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 3451411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).