N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide

C18H17N3O2 — CID 5427308

IUPACN-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
SMILESCCOc1ccc(/C=N\NC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H17N3O2/c1-2-23-14-9-7-13(8-10-14)11-20-21-18(22)16-12-19-17-6-4-3-5-15(16)17/h3-12,19H,2H2,1H3,(H,21,22)/b20-11-
InChIKeyILKFUCTXKFHMGO-JAIQZWGSSA-N
MW307.35 g/mol
LogP3.33
Rot. Bonds5

About N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide

N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide (PubChem CID 5427308) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
PubChem CID5427308
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
SMILESCCOc1ccc(/C=N\NC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H17N3O2/c1-2-23-14-9-7-13(8-10-14)11-20-21-18(22)16-12-19-17-6-4-3-5-15(16)17/h3-12,19H,2H2,1H3,(H,21,22)/b20-11-
InChIKeyILKFUCTXKFHMGO-JAIQZWGSSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.33
H-Bond Donors ≤ 52
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-[(4-octoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2329565
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5410905
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 9025779
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
N-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 3318131
N-[(4-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931427
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524775
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5414551
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2172304
N-[(E)-(3-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 6873008
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 136661289
N-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2165485

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide (CID 5427308) is N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide is CCOc1ccc(/C=N\NC(=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is ILKFUCTXKFHMGO-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-23-14-9-7-13(8-10-14)11-20-21-18(22)16-12-19-17-6-4-3-5-15(16)17/h3-12,19H,2H2,1H3,(H,21,22)/b20-11-.
What are the key properties of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 5427308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).