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

C24H29N3O3 — CID 19155610

IUPAC(4E)-N-cyclohexyl-3-methyl-4-[(2-methylbenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NC3CCCCC3)c(C)c21
InChIInChI=1S/C24H29N3O3/c1-15-9-6-7-12-18(15)23(28)27-26-19-13-8-14-20-21(19)16(2)22(30-20)24(29)25-17-10-4-3-5-11-17/h6-7,9,12,17H,3-5,8,10-11,13-14H2,1-2H3,(H,25,29)(H,27,28)/b26-19+
InChIKeyNDVKEZQGTVSCMW-LGUFXXKBSA-N
MW407.51 g/mol
LogP4.43
Rot. Bonds4

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

(4E)-N-cyclohexyl-3-methyl-4-[(2-methylbenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide (PubChem CID 19155610) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is (4E)-N-cyclohexyl-3-methyl-4-[(2-methylbenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(4E)-N-cyclohexyl-3-methyl-4-[(2-methylbenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide
PubChem CID19155610
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name(4E)-N-cyclohexyl-3-methyl-4-[(2-methylbenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NC3CCCCC3)c(C)c21
InChIInChI=1S/C24H29N3O3/c1-15-9-6-7-12-18(15)23(28)27-26-19-13-8-14-20-21(19)16(2)22(30-20)24(29)25-17-10-4-3-5-11-17/h6-7,9,12,17H,3-5,8,10-11,13-14H2,1-2H3,(H,25,29)(H,27,28)/b26-19+
InChIKeyNDVKEZQGTVSCMW-LGUFXXKBSA-N
XLogP4.43
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-4-(carbamoylhydrazinylidene)-N-cyclohexyl-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161990
(4E)-N-cyclopentyl-4-[(4-hydroxybenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19156223
2-methyl-N-[(E)-[3-methyl-2-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]benzamide
CID 19155621
(4E)-4-(benzenesulfonylhydrazinylidene)-N-cyclopentyl-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19159413
(4E)-N-cyclopentyl-4-[(4-methoxybenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19158071
(4E)-4-[(2-chlorobenzoyl)hydrazinylidene]-3-methyl-N-(2-methylphenyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19156819
N-[(E)-[2-(azepane-1-carbonyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-2-hydroxybenzamide
CID 19163174
(4E)-4-[(2-bromobenzoyl)hydrazinylidene]-N-(3,4-dimethylphenyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19156945
(4E)-4-[(2-chlorobenzoyl)hydrazinylidene]-3-methyl-N-phenyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19156818
(4E)-N-cyclohexyl-4-[[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19163501
N-[(E)-[2-[(tert-butylamino)carbamoyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-2-chlorobenzamide
CID 19156891
N-[(E)-[2-[[(2-chlorobenzoyl)amino]carbamoyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-2-hydroxybenzamide
CID 19163224

Frequently Asked Questions

What is the IUPAC name of (4E)-N-cyclohexyl-3-methyl-4-[(2-methylbenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The IUPAC name of (4E)-N-cyclohexyl-3-methyl-4-[(2-methylbenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide (CID 19155610) is (4E)-N-cyclohexyl-3-methyl-4-[(2-methylbenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide.
What is the SMILES notation for (4E)-N-cyclohexyl-3-methyl-4-[(2-methylbenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The canonical SMILES for (4E)-N-cyclohexyl-3-methyl-4-[(2-methylbenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide is Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NC3CCCCC3)c(C)c21.
What is the InChIKey of (4E)-N-cyclohexyl-3-methyl-4-[(2-methylbenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The InChIKey is NDVKEZQGTVSCMW-LGUFXXKBSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-15-9-6-7-12-18(15)23(28)27-26-19-13-8-14-20-21(19)16(2)22(30-20)24(29)25-17-10-4-3-5-11-17/h6-7,9,12,17H,3-5,8,10-11,13-14H2,1-2H3,(H,25,29)(H,27,28)/b26-19+.
What are the key properties of (4E)-N-cyclohexyl-3-methyl-4-[(2-methylbenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
(4E)-N-cyclohexyl-3-methyl-4-[(2-methylbenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N-cyclohexyl-3-methyl-4-[(2-methylbenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19155610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).