N-(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)iminooctanamide

C20H29N3O2 — CID 4501232

IUPACN-(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)iminooctanamide
SMILESCCCCCCCC(=O)/N=N/c1c(O)n(C(C)C)c2ccc(C)cc12
InChIInChI=1S/C20H29N3O2/c1-5-6-7-8-9-10-18(24)21-22-19-16-13-15(4)11-12-17(16)23(14(2)3)20(19)25/h11-14,25H,5-10H2,1-4H3/b22-21+
InChIKeyFPTRHWDBEUUQJF-QURGRASLSA-N
MW343.47 g/mol
LogP6.21
Rot. Bonds8

About N-(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)iminooctanamide

N-(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)iminooctanamide (PubChem CID 4501232) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)iminooctanamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)iminooctanamide
PubChem CID4501232
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)iminooctanamide
SMILESCCCCCCCC(=O)/N=N/c1c(O)n(C(C)C)c2ccc(C)cc12
InChIInChI=1S/C20H29N3O2/c1-5-6-7-8-9-10-18(24)21-22-19-16-13-15(4)11-12-17(16)23(14(2)3)20(19)25/h11-14,25H,5-10H2,1-4H3/b22-21+
InChIKeyFPTRHWDBEUUQJF-QURGRASLSA-N
XLogP6.21
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)iminooctanamide 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

N-[6-[(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)diazenyl]-6-oxohexyl]benzamide
CID 4501227
N,N'-bis[(5-bromo-2-hydroxy-1-propan-2-ylindol-3-yl)imino]octanediamide
CID 4632186
N,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide
CID 4502441
N,N'-bis[(2-hydroxy-1,5-dimethylindol-3-yl)imino]hexanediamide
CID 4500205
N,N'-bis[(2-hydroxy-5-methoxy-1-propan-2-ylindol-3-yl)imino]pentanediamide
CID 4505123
N,N'-bis[[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide
CID 4503012
2-chloro-N-[6-[(2-hydroxy-5-methyl-1-pentylindol-3-yl)diazenyl]-6-oxohexyl]benzamide
CID 4502814
2-bromo-N-[6-[(2-hydroxy-5-methyl-1-pentylindol-3-yl)diazenyl]-6-oxohexyl]benzamide
CID 4502815
N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminohexanamide
CID 4504327
2-bromo-N-[3-[(2-hydroxy-5-methyl-1-pentylindol-3-yl)diazenyl]-3-oxopropyl]benzamide
CID 4502816
N-[2-[(1-butyl-2-hydroxy-5-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
CID 4502119
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)iminopentanamide
CID 4504812

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)iminooctanamide?
The IUPAC name of N-(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)iminooctanamide (CID 4501232) is N-(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)iminooctanamide.
What is the SMILES notation for N-(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)iminooctanamide?
The canonical SMILES for N-(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)iminooctanamide is CCCCCCCC(=O)/N=N/c1c(O)n(C(C)C)c2ccc(C)cc12.
What is the InChIKey of N-(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)iminooctanamide?
The InChIKey is FPTRHWDBEUUQJF-QURGRASLSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-5-6-7-8-9-10-18(24)21-22-19-16-13-15(4)11-12-17(16)23(14(2)3)20(19)25/h11-14,25H,5-10H2,1-4H3/b22-21+.
What are the key properties of N-(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)iminooctanamide?
N-(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)iminooctanamide has a molecular weight of 343.47 g/mol, XLogP of 6.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)iminooctanamide is sourced from PubChem (CID 4501232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).