N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminobenzamide

C21H23N3O3 — CID 135924634

IUPACN-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminobenzamide
SMILESCCCCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2ccc(OC)cc21
InChIInChI=1S/C21H23N3O3/c1-3-4-8-13-24-18-14-16(27-2)11-12-17(18)19(21(24)26)22-23-20(25)15-9-6-5-7-10-15/h5-7,9-12,14,26H,3-4,8,13H2,1-2H3/b23-22+
InChIKeySNDQOZCXKLNSRI-GHVJWSGMSA-N
MW365.43 g/mol
LogP5.47
Rot. Bonds7

About N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminobenzamide

N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminobenzamide (PubChem CID 135924634) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminobenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminobenzamide
PubChem CID135924634
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminobenzamide
SMILESCCCCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2ccc(OC)cc21
InChIInChI=1S/C21H23N3O3/c1-3-4-8-13-24-18-14-16(27-2)11-12-17(18)19(21(24)26)22-23-20(25)15-9-6-5-7-10-15/h5-7,9-12,14,26H,3-4,8,13H2,1-2H3/b23-22+
InChIKeySNDQOZCXKLNSRI-GHVJWSGMSA-N
XLogP5.47
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminobenzamide?
The IUPAC name of N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminobenzamide (CID 135924634) is N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminobenzamide.
What is the SMILES notation for N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminobenzamide?
The canonical SMILES for N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminobenzamide is CCCCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2ccc(OC)cc21.
What is the InChIKey of N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminobenzamide?
The InChIKey is SNDQOZCXKLNSRI-GHVJWSGMSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-4-8-13-24-18-14-16(27-2)11-12-17(18)19(21(24)26)22-23-20(25)15-9-6-5-7-10-15/h5-7,9-12,14,26H,3-4,8,13H2,1-2H3/b23-22+.
What are the key properties of N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminobenzamide?
N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminobenzamide has a molecular weight of 365.43 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminobenzamide is sourced from PubChem (CID 135924634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).