[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenyl] 2-methylprop-2-enoate

C27H29N3O2 — CID 58596541

IUPAC[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(N(CC)CC)ccc1/C=N/N(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29N3O2/c1-5-29(6-2)25-18-17-22(26(19-25)32-27(31)21(3)4)20-28-30(23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-20H,3,5-6H2,1-2,4H3/b28-20+
InChIKeyQZQDZAPEMZFAFB-VFCFBJKWSA-N
MW427.55 g/mol
LogP6.19
Rot. Bonds9

About [5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenyl] 2-methylprop-2-enoate

[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenyl] 2-methylprop-2-enoate (PubChem CID 58596541) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is [5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenyl] 2-methylprop-2-enoate
PubChem CID58596541
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(N(CC)CC)ccc1/C=N/N(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29N3O2/c1-5-29(6-2)25-18-17-22(26(19-25)32-27(31)21(3)4)20-28-30(23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-20H,3,5-6H2,1-2,4H3/b28-20+
InChIKeyQZQDZAPEMZFAFB-VFCFBJKWSA-N
XLogP6.19
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenyl] 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenyl] 2-methylprop-2-enoate (CID 58596541) is [5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cc(N(CC)CC)ccc1/C=N/N(c1ccccc1)c1ccccc1.
What is the InChIKey of [5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenyl] 2-methylprop-2-enoate?
The InChIKey is QZQDZAPEMZFAFB-VFCFBJKWSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-5-29(6-2)25-18-17-22(26(19-25)32-27(31)21(3)4)20-28-30(23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-20H,3,5-6H2,1-2,4H3/b28-20+.
What are the key properties of [5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenyl] 2-methylprop-2-enoate?
[5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 427.55 g/mol, XLogP of 6.19, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 58596541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).