(4Z)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid

C19H17N3O3 — CID 5342175

IUPAC(4Z)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid
SMILESO=C(O)CC/C(=N/NC(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C19H17N3O3/c23-18(24)11-10-16(13-6-2-1-3-7-13)21-22-19(25)15-12-20-17-9-5-4-8-14(15)17/h1-9,12,20H,10-11H2,(H,22,25)(H,23,24)/b21-16-
InChIKeyJEQGSSXFQBRJID-PGMHBOJBSA-N
MW335.36 g/mol
LogP3.17
Rot. Bonds6

About (4Z)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid

(4Z)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid (PubChem CID 5342175) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is (4Z)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid.

Molecular Properties

Compound Name(4Z)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid
PubChem CID5342175
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name(4Z)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid
SMILESO=C(O)CC/C(=N/NC(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C19H17N3O3/c23-18(24)11-10-16(13-6-2-1-3-7-13)21-22-19(25)15-12-20-17-9-5-4-8-14(15)17/h1-9,12,20H,10-11H2,(H,22,25)(H,23,24)/b21-16-
InChIKeyJEQGSSXFQBRJID-PGMHBOJBSA-N
XLogP3.17
TPSA94.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide
CID 5146585
N-[1-(4-chlorophenyl)propylideneamino]-1H-indole-3-carboxamide
CID 5011470
N-(propan-2-ylideneamino)-1H-indole-3-carboxamide
CID 3706712
N-[[phenyl(pyridin-4-yl)methylidene]amino]-1H-indole-3-carboxamide
CID 5082604
N-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3109037
N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3447704
(4Z)-4-[[5-[[(E)-(3-carboxy-1-phenylpropylidene)amino]carbamoyl]furan-2-carbonyl]hydrazinylidene]-4-phenylbutanoic acid
CID 6380098
N-[(Z)-1-(3-bromophenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 6242879
N'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide
CID 27691367
(4E)-4-[(4-bromobenzoyl)hydrazinylidene]-4-phenylbutanoic acid
CID 6391991
2-hydroxy-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzamide
CID 136801988
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 136661289

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid?
The IUPAC name of (4Z)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid (CID 5342175) is (4Z)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid.
What is the SMILES notation for (4Z)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid?
The canonical SMILES for (4Z)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid is O=C(O)CC/C(=N/NC(=O)c1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of (4Z)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid?
The InChIKey is JEQGSSXFQBRJID-PGMHBOJBSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-18(24)11-10-16(13-6-2-1-3-7-13)21-22-19(25)15-12-20-17-9-5-4-8-14(15)17/h1-9,12,20H,10-11H2,(H,22,25)(H,23,24)/b21-16-.
What are the key properties of (4Z)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid?
(4Z)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid has a molecular weight of 335.36 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid is sourced from PubChem (CID 5342175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).