N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide

C21H23N3O5 — CID 2424477

IUPACN-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)/N=N/c2c(O)[nH]c3ccc(C(C)C)cc23)cc(OC)c1OC
InChIInChI=1S/C21H23N3O5/c1-11(2)12-6-7-15-14(8-12)18(21(26)22-15)23-24-20(25)13-9-16(27-3)19(29-5)17(10-13)28-4/h6-11,22,26H,1-5H3/b24-23+
InChIKeyPWOONQDFOJIGRO-WCWDXBQESA-N
MW397.43 g/mol
LogP4.95
Rot. Bonds6

About N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide

N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide (PubChem CID 2424477) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide
PubChem CID2424477
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)/N=N/c2c(O)[nH]c3ccc(C(C)C)cc23)cc(OC)c1OC
InChIInChI=1S/C21H23N3O5/c1-11(2)12-6-7-15-14(8-12)18(21(26)22-15)23-24-20(25)13-9-16(27-3)19(29-5)17(10-13)28-4/h6-11,22,26H,1-5H3/b24-23+
InChIKeyPWOONQDFOJIGRO-WCWDXBQESA-N
XLogP4.95
TPSA105.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide
CID 135775134
N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide
CID 135836838
N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-3,4,5-trimethoxybenzamide
CID 135710506
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-4-oxo-3H-phthalazine-1-carboxamide
CID 135847909
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-4-propan-2-ylphenoxy)acetamide
CID 1240511
2-(3-bromophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide
CID 135775220
2-(3-fluorophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide
CID 135557715
N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]pyridine-4-carboxamide
CID 137172272
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 135745488
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 5021886
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135811317
4-amino-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 1368694

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide (CID 2424477) is N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)/N=N/c2c(O)[nH]c3ccc(C(C)C)cc23)cc(OC)c1OC.
What is the InChIKey of N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide?
The InChIKey is PWOONQDFOJIGRO-WCWDXBQESA-N. The full InChI is InChI=1S/C21H23N3O5/c1-11(2)12-6-7-15-14(8-12)18(21(26)22-15)23-24-20(25)13-9-16(27-3)19(29-5)17(10-13)28-4/h6-11,22,26H,1-5H3/b24-23+.
What are the key properties of N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide?
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide has a molecular weight of 397.43 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 2424477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).