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

C24H29N3O2 — CID 2329565

IUPACN-[(4-octoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
SMILESCCCCCCCCOc1ccc(C=NNC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H29N3O2/c1-2-3-4-5-6-9-16-29-20-14-12-19(13-15-20)17-26-27-24(28)22-18-25-23-11-8-7-10-21(22)23/h7-8,10-15,17-18,25H,2-6,9,16H2,1H3,(H,27,28)
InChIKeyLFPRVHLEMROEBI-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.67
Rot. Bonds11

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

N-[(4-octoxyphenyl)methylideneamino]-1H-indole-3-carboxamide (PubChem CID 2329565) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[(4-octoxyphenyl)methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-octoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
PubChem CID2329565
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[(4-octoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
SMILESCCCCCCCCOc1ccc(C=NNC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H29N3O2/c1-2-3-4-5-6-9-16-29-20-14-12-19(13-15-20)17-26-27-24(28)22-18-25-23-11-8-7-10-21(22)23/h7-8,10-15,17-18,25H,2-6,9,16H2,1H3,(H,27,28)
InChIKeyLFPRVHLEMROEBI-UHFFFAOYSA-N
XLogP5.67
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5427308
2-chloro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide
CID 7782249
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5410905
N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 6908234
N-(benzylideneamino)-2,4-dihexoxybenzamide
CID 162378074
2-[(4-fluorobenzoyl)amino]-N-[(4-heptoxyphenyl)methylideneamino]benzamide
CID 3671539
[(E)-(4-heptoxyphenyl)methylideneamino]urea
CID 14915218
N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
CID 6322467
N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
CID 9074224
N-[(E)-(4-hexoxyphenyl)methylideneamino]furan-2-carboxamide
CID 18273469
1-methyl-2-oxo-N-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110523605

Frequently Asked Questions

What is the IUPAC name of N-[(4-octoxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(4-octoxyphenyl)methylideneamino]-1H-indole-3-carboxamide (CID 2329565) is N-[(4-octoxyphenyl)methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(4-octoxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(4-octoxyphenyl)methylideneamino]-1H-indole-3-carboxamide is CCCCCCCCOc1ccc(C=NNC(=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(4-octoxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is LFPRVHLEMROEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-2-3-4-5-6-9-16-29-20-14-12-19(13-15-20)17-26-27-24(28)22-18-25-23-11-8-7-10-21(22)23/h7-8,10-15,17-18,25H,2-6,9,16H2,1H3,(H,27,28).
What are the key properties of N-[(4-octoxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
N-[(4-octoxyphenyl)methylideneamino]-1H-indole-3-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 5.67, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-octoxyphenyl)methylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 2329565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).