(4E)-N,3-dimethyl-4-[(4-methylbenzoyl)hydrazinylidene]-N-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide

C25H32N4O3 — CID 19155226

IUPAC(4E)-N,3-dimethyl-4-[(4-methylbenzoyl)hydrazinylidene]-N-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)N(C)C4CCN(C)CC4)c(C)c32)cc1
InChIInChI=1S/C25H32N4O3/c1-16-8-10-18(11-9-16)24(30)27-26-20-6-5-7-21-22(20)17(2)23(32-21)25(31)29(4)19-12-14-28(3)15-13-19/h8-11,19H,5-7,12-15H2,1-4H3,(H,27,30)/b26-20+
InChIKeySTYFZCJHKRCDFT-LHLOQNFPSA-N
MW436.56 g/mol
LogP3.53
Rot. Bonds4

About (4E)-N,3-dimethyl-4-[(4-methylbenzoyl)hydrazinylidene]-N-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide

(4E)-N,3-dimethyl-4-[(4-methylbenzoyl)hydrazinylidene]-N-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide (PubChem CID 19155226) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is (4E)-N,3-dimethyl-4-[(4-methylbenzoyl)hydrazinylidene]-N-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(4E)-N,3-dimethyl-4-[(4-methylbenzoyl)hydrazinylidene]-N-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
PubChem CID19155226
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name(4E)-N,3-dimethyl-4-[(4-methylbenzoyl)hydrazinylidene]-N-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)N(C)C4CCN(C)CC4)c(C)c32)cc1
InChIInChI=1S/C25H32N4O3/c1-16-8-10-18(11-9-16)24(30)27-26-20-6-5-7-21-22(20)17(2)23(32-21)25(31)29(4)19-12-14-28(3)15-13-19/h8-11,19H,5-7,12-15H2,1-4H3,(H,27,30)/b26-20+
InChIKeySTYFZCJHKRCDFT-LHLOQNFPSA-N
XLogP3.53
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(4E)-N,3-dimethyl-4-[(3-methylbenzoyl)hydrazinylidene]-N-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19155394
4-methyl-N-[(E)-[3-methyl-2-(4-methylpiperidine-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]benzamide
CID 19155222
4-methyl-N-[(E)-[3-methyl-2-(pyrrolidine-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]benzamide
CID 19155280
N-[(E)-[2-(azepane-1-carbonyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-4-methylbenzamide
CID 19155283
(4E)-3-methyl-4-[(4-methylbenzoyl)hydrazinylidene]-N-propyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19155272
(4E)-N-(4-fluorophenyl)-3-methyl-4-[(4-methylbenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19155319
(4E)-3-methyl-4-[(4-methylbenzoyl)hydrazinylidene]-N-(3-methylbutyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19155369
(4E)-N-benzyl-N,3-dimethyl-4-[(4-phenylbenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19160722
(4E)-4-[(4-chlorobenzoyl)hydrazinylidene]-3-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19155819
(4E)-N-(3,5-dichlorophenyl)-3-methyl-4-[(4-methylbenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19155261
(4E)-3-methyl-4-[(4-methylbenzoyl)hydrazinylidene]-N-(5-methyl-2-pyridinyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19155368
methyl (4E)-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate
CID 19156184

Frequently Asked Questions

What is the IUPAC name of (4E)-N,3-dimethyl-4-[(4-methylbenzoyl)hydrazinylidene]-N-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The IUPAC name of (4E)-N,3-dimethyl-4-[(4-methylbenzoyl)hydrazinylidene]-N-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide (CID 19155226) is (4E)-N,3-dimethyl-4-[(4-methylbenzoyl)hydrazinylidene]-N-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide.
What is the SMILES notation for (4E)-N,3-dimethyl-4-[(4-methylbenzoyl)hydrazinylidene]-N-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The canonical SMILES for (4E)-N,3-dimethyl-4-[(4-methylbenzoyl)hydrazinylidene]-N-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide is Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)N(C)C4CCN(C)CC4)c(C)c32)cc1.
What is the InChIKey of (4E)-N,3-dimethyl-4-[(4-methylbenzoyl)hydrazinylidene]-N-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The InChIKey is STYFZCJHKRCDFT-LHLOQNFPSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-16-8-10-18(11-9-16)24(30)27-26-20-6-5-7-21-22(20)17(2)23(32-21)25(31)29(4)19-12-14-28(3)15-13-19/h8-11,19H,5-7,12-15H2,1-4H3,(H,27,30)/b26-20+.
What are the key properties of (4E)-N,3-dimethyl-4-[(4-methylbenzoyl)hydrazinylidene]-N-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
(4E)-N,3-dimethyl-4-[(4-methylbenzoyl)hydrazinylidene]-N-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N,3-dimethyl-4-[(4-methylbenzoyl)hydrazinylidene]-N-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19155226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).