(2E)-3-imino-4-(4-methoxyphenyl)-N-phenyl-2-(phenylhydrazinylidene)pentanamide

C24H24N4O2 — CID 142189341

IUPAC(2E)-3-imino-4-(4-methoxyphenyl)-N-phenyl-2-(phenylhydrazinylidene)pentanamide
SMILES[H]/N=C(C(=N/Nc1ccccc1)\C(=O)Nc1ccccc1)/C(C)c1ccc(OC)cc1
InChIInChI=1S/C24H24N4O2/c1-17(18-13-15-21(30-2)16-14-18)22(25)23(28-27-20-11-7-4-8-12-20)24(29)26-19-9-5-3-6-10-19/h3-17,25,27H,1-2H3,(H,26,29)/b25-22-,28-23+
InChIKeyZXQPGFHYXGHIDF-FOCSMPHOSA-N
MW400.48 g/mol
LogP4.93
Rot. Bonds8

About (2E)-3-imino-4-(4-methoxyphenyl)-N-phenyl-2-(phenylhydrazinylidene)pentanamide

(2E)-3-imino-4-(4-methoxyphenyl)-N-phenyl-2-(phenylhydrazinylidene)pentanamide (PubChem CID 142189341) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is (2E)-3-imino-4-(4-methoxyphenyl)-N-phenyl-2-(phenylhydrazinylidene)pentanamide.

Molecular Properties

Compound Name(2E)-3-imino-4-(4-methoxyphenyl)-N-phenyl-2-(phenylhydrazinylidene)pentanamide
PubChem CID142189341
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name(2E)-3-imino-4-(4-methoxyphenyl)-N-phenyl-2-(phenylhydrazinylidene)pentanamide
SMILES[H]/N=C(C(=N/Nc1ccccc1)\C(=O)Nc1ccccc1)/C(C)c1ccc(OC)cc1
InChIInChI=1S/C24H24N4O2/c1-17(18-13-15-21(30-2)16-14-18)22(25)23(28-27-20-11-7-4-8-12-20)24(29)26-19-9-5-3-6-10-19/h3-17,25,27H,1-2H3,(H,26,29)/b25-22-,28-23+
InChIKeyZXQPGFHYXGHIDF-FOCSMPHOSA-N
XLogP4.93
TPSA86.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-3-imino-4-(4-methoxyphenyl)-N-phenyl-2-(phenylhydrazinylidene)pentanamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-methoxyphenyl)-3-(phenylhydrazinylidene)pentan-2-one
CID 91962586
(2E,3E)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 136662570
(3Z)-4-(4-hydroxyphenyl)-2-imino-N-phenyl-3-(phenylhydrazinylidene)pentanamide
CID 142189425
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 141011644
1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea
CID 17480798
1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea
CID 92685488
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248610
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81368463
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248614
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
(2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951841

Frequently Asked Questions

What is the IUPAC name of (2E)-3-imino-4-(4-methoxyphenyl)-N-phenyl-2-(phenylhydrazinylidene)pentanamide?
The IUPAC name of (2E)-3-imino-4-(4-methoxyphenyl)-N-phenyl-2-(phenylhydrazinylidene)pentanamide (CID 142189341) is (2E)-3-imino-4-(4-methoxyphenyl)-N-phenyl-2-(phenylhydrazinylidene)pentanamide.
What is the SMILES notation for (2E)-3-imino-4-(4-methoxyphenyl)-N-phenyl-2-(phenylhydrazinylidene)pentanamide?
The canonical SMILES for (2E)-3-imino-4-(4-methoxyphenyl)-N-phenyl-2-(phenylhydrazinylidene)pentanamide is [H]/N=C(C(=N/Nc1ccccc1)\C(=O)Nc1ccccc1)/C(C)c1ccc(OC)cc1.
What is the InChIKey of (2E)-3-imino-4-(4-methoxyphenyl)-N-phenyl-2-(phenylhydrazinylidene)pentanamide?
The InChIKey is ZXQPGFHYXGHIDF-FOCSMPHOSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-17(18-13-15-21(30-2)16-14-18)22(25)23(28-27-20-11-7-4-8-12-20)24(29)26-19-9-5-3-6-10-19/h3-17,25,27H,1-2H3,(H,26,29)/b25-22-,28-23+.
What are the key properties of (2E)-3-imino-4-(4-methoxyphenyl)-N-phenyl-2-(phenylhydrazinylidene)pentanamide?
(2E)-3-imino-4-(4-methoxyphenyl)-N-phenyl-2-(phenylhydrazinylidene)pentanamide has a molecular weight of 400.48 g/mol, XLogP of 4.93, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-imino-4-(4-methoxyphenyl)-N-phenyl-2-(phenylhydrazinylidene)pentanamide is sourced from PubChem (CID 142189341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).