N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylanilino)acetamide

C18H18N4O2 — CID 3371203

IUPACN-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylanilino)acetamide
SMILESCc1ccccc1NCC(=O)/N=N/c1c(O)n(C)c2ccccc12
InChIInChI=1S/C18H18N4O2/c1-12-7-3-5-9-14(12)19-11-16(23)20-21-17-13-8-4-6-10-15(13)22(2)18(17)24/h3-10,19,24H,11H2,1-2H3/b21-20+
InChIKeyAGCBPHFPXPRTMI-QZQOTICOSA-N
MW322.37 g/mol
LogP3.91
Rot. Bonds4

About N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylanilino)acetamide

N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylanilino)acetamide (PubChem CID 3371203) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylanilino)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylanilino)acetamide
PubChem CID3371203
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylanilino)acetamide
SMILESCc1ccccc1NCC(=O)/N=N/c1c(O)n(C)c2ccccc12
InChIInChI=1S/C18H18N4O2/c1-12-7-3-5-9-14(12)19-11-16(23)20-21-17-13-8-4-6-10-15(13)22(2)18(17)24/h3-10,19,24H,11H2,1-2H3/b21-20+
InChIKeyAGCBPHFPXPRTMI-QZQOTICOSA-N
XLogP3.91
TPSA78.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylanilino)acetamide 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

2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 135951883
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 137143472
N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide
CID 966588
N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide
CID 3729136
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-methoxyanilino)acetamide
CID 3605087
1-(2-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
CID 135495300
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137143666
3-chloro-N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
CID 1153980
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide
CID 1138559
N-(2-hydroxy-1-methylindol-3-yl)imino-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 135993419
N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3712818
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137068669

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylanilino)acetamide?
The IUPAC name of N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylanilino)acetamide (CID 3371203) is N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylanilino)acetamide.
What is the SMILES notation for N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylanilino)acetamide?
The canonical SMILES for N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylanilino)acetamide is Cc1ccccc1NCC(=O)/N=N/c1c(O)n(C)c2ccccc12.
What is the InChIKey of N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylanilino)acetamide?
The InChIKey is AGCBPHFPXPRTMI-QZQOTICOSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-7-3-5-9-14(12)19-11-16(23)20-21-17-13-8-4-6-10-15(13)22(2)18(17)24/h3-10,19,24H,11H2,1-2H3/b21-20+.
What are the key properties of N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylanilino)acetamide?
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylanilino)acetamide has a molecular weight of 322.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylanilino)acetamide is sourced from PubChem (CID 3371203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).