N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-N-(2-methylphenyl)benzamide

C25H26N4O2 — CID 6876632

IUPACN-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)C(=O)c1ccccc1
InChIInChI=1S/C25H26N4O2/c1-19-9-7-8-12-23(19)29(25(31)21-10-5-4-6-11-21)18-24(30)27-26-17-20-13-15-22(16-14-20)28(2)3/h4-17H,18H2,1-3H3,(H,27,30)/b26-17+
InChIKeyAEPLBJNNHCKHCC-YZSQISJMSA-N
MW414.51 g/mol
LogP3.86
Rot. Bonds7

About N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-N-(2-methylphenyl)benzamide

N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-N-(2-methylphenyl)benzamide (PubChem CID 6876632) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-N-(2-methylphenyl)benzamide
PubChem CID6876632
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)C(=O)c1ccccc1
InChIInChI=1S/C25H26N4O2/c1-19-9-7-8-12-23(19)29(25(31)21-10-5-4-6-11-21)18-24(30)27-26-17-20-13-15-22(16-14-20)28(2)3/h4-17H,18H2,1-3H3,(H,27,30)/b26-17+
InChIKeyAEPLBJNNHCKHCC-YZSQISJMSA-N
XLogP3.86
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-N-(2-methylphenyl)benzamide?
The IUPAC name of N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-N-(2-methylphenyl)benzamide (CID 6876632) is N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-N-(2-methylphenyl)benzamide.
What is the SMILES notation for N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-N-(2-methylphenyl)benzamide?
The canonical SMILES for N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-N-(2-methylphenyl)benzamide is Cc1ccccc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-N-(2-methylphenyl)benzamide?
The InChIKey is AEPLBJNNHCKHCC-YZSQISJMSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-19-9-7-8-12-23(19)29(25(31)21-10-5-4-6-11-21)18-24(30)27-26-17-20-13-15-22(16-14-20)28(2)3/h4-17H,18H2,1-3H3,(H,27,30)/b26-17+.
What are the key properties of N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-N-(2-methylphenyl)benzamide?
N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-N-(2-methylphenyl)benzamide has a molecular weight of 414.51 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 6876632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).