N-(1-hexyl-2-hydroxy-7-methylindol-3-yl)iminobenzamide

C22H25N3O2 — CID 135881473

IUPACN-(1-hexyl-2-hydroxy-7-methylindol-3-yl)iminobenzamide
SMILESCCCCCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2cccc(C)c21
InChIInChI=1S/C22H25N3O2/c1-3-4-5-9-15-25-20-16(2)11-10-14-18(20)19(22(25)27)23-24-21(26)17-12-7-6-8-13-17/h6-8,10-14,27H,3-5,9,15H2,1-2H3/b24-23+
InChIKeyBIZOEYWYTBCMPY-WCWDXBQESA-N
MW363.46 g/mol
LogP6.16
Rot. Bonds7

About N-(1-hexyl-2-hydroxy-7-methylindol-3-yl)iminobenzamide

N-(1-hexyl-2-hydroxy-7-methylindol-3-yl)iminobenzamide (PubChem CID 135881473) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(1-hexyl-2-hydroxy-7-methylindol-3-yl)iminobenzamide.

Molecular Properties

Compound NameN-(1-hexyl-2-hydroxy-7-methylindol-3-yl)iminobenzamide
PubChem CID135881473
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(1-hexyl-2-hydroxy-7-methylindol-3-yl)iminobenzamide
SMILESCCCCCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2cccc(C)c21
InChIInChI=1S/C22H25N3O2/c1-3-4-5-9-15-25-20-16(2)11-10-14-18(20)19(22(25)27)23-24-21(26)17-12-7-6-8-13-17/h6-8,10-14,27H,3-5,9,15H2,1-2H3/b24-23+
InChIKeyBIZOEYWYTBCMPY-WCWDXBQESA-N
XLogP6.16
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 56.16
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-hexyl-2-hydroxy-7-methylindol-3-yl)iminobenzamide?
The IUPAC name of N-(1-hexyl-2-hydroxy-7-methylindol-3-yl)iminobenzamide (CID 135881473) is N-(1-hexyl-2-hydroxy-7-methylindol-3-yl)iminobenzamide.
What is the SMILES notation for N-(1-hexyl-2-hydroxy-7-methylindol-3-yl)iminobenzamide?
The canonical SMILES for N-(1-hexyl-2-hydroxy-7-methylindol-3-yl)iminobenzamide is CCCCCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2cccc(C)c21.
What is the InChIKey of N-(1-hexyl-2-hydroxy-7-methylindol-3-yl)iminobenzamide?
The InChIKey is BIZOEYWYTBCMPY-WCWDXBQESA-N. The full InChI is InChI=1S/C22H25N3O2/c1-3-4-5-9-15-25-20-16(2)11-10-14-18(20)19(22(25)27)23-24-21(26)17-12-7-6-8-13-17/h6-8,10-14,27H,3-5,9,15H2,1-2H3/b24-23+.
What are the key properties of N-(1-hexyl-2-hydroxy-7-methylindol-3-yl)iminobenzamide?
N-(1-hexyl-2-hydroxy-7-methylindol-3-yl)iminobenzamide has a molecular weight of 363.46 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hexyl-2-hydroxy-7-methylindol-3-yl)iminobenzamide is sourced from PubChem (CID 135881473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).