N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(3-methoxyanilino)acetamide

C18H18N4O3 — CID 135725912

IUPACN-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(3-methoxyanilino)acetamide
SMILESCOc1cccc(NCC(=O)/N=N/c2c(O)[nH]c3c(C)cccc23)c1
InChIInChI=1S/C18H18N4O3/c1-11-5-3-8-14-16(11)20-18(24)17(14)22-21-15(23)10-19-12-6-4-7-13(9-12)25-2/h3-9,19-20,24H,10H2,1-2H3/b22-21+
InChIKeyCZTCKDSOIYONJG-QURGRASLSA-N
MW338.37 g/mol
LogP3.91
Rot. Bonds5

About N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(3-methoxyanilino)acetamide

N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(3-methoxyanilino)acetamide (PubChem CID 135725912) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(3-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(3-methoxyanilino)acetamide
PubChem CID135725912
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(3-methoxyanilino)acetamide
SMILESCOc1cccc(NCC(=O)/N=N/c2c(O)[nH]c3c(C)cccc23)c1
InChIInChI=1S/C18H18N4O3/c1-11-5-3-8-14-16(11)20-18(24)17(14)22-21-15(23)10-19-12-6-4-7-13(9-12)25-2/h3-9,19-20,24H,10H2,1-2H3/b22-21+
InChIKeyCZTCKDSOIYONJG-QURGRASLSA-N
XLogP3.91
TPSA99.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3,5-dimethoxybenzamide
CID 135582404
2-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide
CID 135551915
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(3-methoxyanilino)acetamide
CID 166435290
2-(2-benzylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide
CID 135576133
N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide
CID 3566388
N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide
CID 1126524
N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)acetamide
CID 7636776
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide
CID 788839
2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide
CID 135620348
2-(3-methoxyanilino)-1-(4-methoxyphenyl)ethanone
CID 1133350
1-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3-(4-propan-2-ylphenyl)thiourea
CID 135620460
(E)-N-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 175415710

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(3-methoxyanilino)acetamide?
The IUPAC name of N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(3-methoxyanilino)acetamide (CID 135725912) is N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(3-methoxyanilino)acetamide.
What is the SMILES notation for N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(3-methoxyanilino)acetamide?
The canonical SMILES for N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(3-methoxyanilino)acetamide is COc1cccc(NCC(=O)/N=N/c2c(O)[nH]c3c(C)cccc23)c1.
What is the InChIKey of N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(3-methoxyanilino)acetamide?
The InChIKey is CZTCKDSOIYONJG-QURGRASLSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11-5-3-8-14-16(11)20-18(24)17(14)22-21-15(23)10-19-12-6-4-7-13(9-12)25-2/h3-9,19-20,24H,10H2,1-2H3/b22-21+.
What are the key properties of N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(3-methoxyanilino)acetamide?
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(3-methoxyanilino)acetamide has a molecular weight of 338.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(3-methoxyanilino)acetamide is sourced from PubChem (CID 135725912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).