7-[N-ethyl-4-(1H-indol-6-yl)anilino]-N-hydroxyheptanamide

C23H29N3O2 — CID 58074271

IUPAC7-[N-ethyl-4-(1H-indol-6-yl)anilino]-N-hydroxyheptanamide
SMILESCCN(CCCCCCC(=O)NO)c1ccc(-c2ccc3cc[nH]c3c2)cc1
InChIInChI=1S/C23H29N3O2/c1-2-26(16-6-4-3-5-7-23(27)25-28)21-12-10-18(11-13-21)20-9-8-19-14-15-24-22(19)17-20/h8-15,17,24,28H,2-7,16H2,1H3,(H,25,27)
InChIKeyMLKXNYLPSQNVTE-UHFFFAOYSA-N
MW379.50 g/mol
LogP5.12
Rot. Bonds10

About 7-[N-ethyl-4-(1H-indol-6-yl)anilino]-N-hydroxyheptanamide

7-[N-ethyl-4-(1H-indol-6-yl)anilino]-N-hydroxyheptanamide (PubChem CID 58074271) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 7-[N-ethyl-4-(1H-indol-6-yl)anilino]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[N-ethyl-4-(1H-indol-6-yl)anilino]-N-hydroxyheptanamide
PubChem CID58074271
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name7-[N-ethyl-4-(1H-indol-6-yl)anilino]-N-hydroxyheptanamide
SMILESCCN(CCCCCCC(=O)NO)c1ccc(-c2ccc3cc[nH]c3c2)cc1
InChIInChI=1S/C23H29N3O2/c1-2-26(16-6-4-3-5-7-23(27)25-28)21-12-10-18(11-13-21)20-9-8-19-14-15-24-22(19)17-20/h8-15,17,24,28H,2-7,16H2,1H3,(H,25,27)
InChIKeyMLKXNYLPSQNVTE-UHFFFAOYSA-N
XLogP5.12
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[N-ethyl-4-(1H-indol-6-yl)anilino]-N-hydroxyheptanamide 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 7-[N-ethyl-4-(1H-indol-6-yl)anilino]-N-hydroxyheptanamide?
The IUPAC name of 7-[N-ethyl-4-(1H-indol-6-yl)anilino]-N-hydroxyheptanamide (CID 58074271) is 7-[N-ethyl-4-(1H-indol-6-yl)anilino]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[N-ethyl-4-(1H-indol-6-yl)anilino]-N-hydroxyheptanamide?
The canonical SMILES for 7-[N-ethyl-4-(1H-indol-6-yl)anilino]-N-hydroxyheptanamide is CCN(CCCCCCC(=O)NO)c1ccc(-c2ccc3cc[nH]c3c2)cc1.
What is the InChIKey of 7-[N-ethyl-4-(1H-indol-6-yl)anilino]-N-hydroxyheptanamide?
The InChIKey is MLKXNYLPSQNVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-2-26(16-6-4-3-5-7-23(27)25-28)21-12-10-18(11-13-21)20-9-8-19-14-15-24-22(19)17-20/h8-15,17,24,28H,2-7,16H2,1H3,(H,25,27).
What are the key properties of 7-[N-ethyl-4-(1H-indol-6-yl)anilino]-N-hydroxyheptanamide?
7-[N-ethyl-4-(1H-indol-6-yl)anilino]-N-hydroxyheptanamide has a molecular weight of 379.50 g/mol, XLogP of 5.12, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[N-ethyl-4-(1H-indol-6-yl)anilino]-N-hydroxyheptanamide is sourced from PubChem (CID 58074271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).