N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(1-methylindol-6-yl)oxamide

C20H19N3O3 — CID 111798539

IUPACN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(1-methylindol-6-yl)oxamide
SMILESCn1ccc2ccc(NC(=O)C(=O)N[C@H]3c4ccccc4C[C@H]3O)cc21
InChIInChI=1S/C20H19N3O3/c1-23-9-8-12-6-7-14(11-16(12)23)21-19(25)20(26)22-18-15-5-3-2-4-13(15)10-17(18)24/h2-9,11,17-18,24H,10H2,1H3,(H,21,25)(H,22,26)/t17-,18+/m1/s1
InChIKeyVCANKSMVMJRWTR-MSOLQXFVSA-N
MW349.39 g/mol
LogP1.89
Rot. Bonds2

About N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(1-methylindol-6-yl)oxamide

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(1-methylindol-6-yl)oxamide (PubChem CID 111798539) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(1-methylindol-6-yl)oxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(1-methylindol-6-yl)oxamide
PubChem CID111798539
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(1-methylindol-6-yl)oxamide
SMILESCn1ccc2ccc(NC(=O)C(=O)N[C@H]3c4ccccc4C[C@H]3O)cc21
InChIInChI=1S/C20H19N3O3/c1-23-9-8-12-6-7-14(11-16(12)23)21-19(25)20(26)22-18-15-5-3-2-4-13(15)10-17(18)24/h2-9,11,17-18,24H,10H2,1H3,(H,21,25)(H,22,26)/t17-,18+/m1/s1
InChIKeyVCANKSMVMJRWTR-MSOLQXFVSA-N
XLogP1.89
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(1-methylindol-6-yl)oxamide 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

N'-(3,5-dimethylphenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
CID 111798540
N'-(4-chloro-3-fluorophenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
CID 46198843
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-N'-(1-methylindol-6-yl)oxamide
CID 111798853
1-(1-ethylindazol-6-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 99816453
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 56527654
N'-(4-chloro-2-methylphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxamide
CID 111798362
1-(3-fluoro-4-methylsulfanylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 111475405
N-(2-aminoethyl)-N'-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
CID 107211873
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-ylurea
CID 110895973
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 75920789
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-3-carboxamide
CID 103862965
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 111696311

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(1-methylindol-6-yl)oxamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(1-methylindol-6-yl)oxamide (CID 111798539) is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(1-methylindol-6-yl)oxamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(1-methylindol-6-yl)oxamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(1-methylindol-6-yl)oxamide is Cn1ccc2ccc(NC(=O)C(=O)N[C@H]3c4ccccc4C[C@H]3O)cc21.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(1-methylindol-6-yl)oxamide?
The InChIKey is VCANKSMVMJRWTR-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-23-9-8-12-6-7-14(11-16(12)23)21-19(25)20(26)22-18-15-5-3-2-4-13(15)10-17(18)24/h2-9,11,17-18,24H,10H2,1H3,(H,21,25)(H,22,26)/t17-,18+/m1/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(1-methylindol-6-yl)oxamide?
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(1-methylindol-6-yl)oxamide has a molecular weight of 349.39 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(1-methylindol-6-yl)oxamide is sourced from PubChem (CID 111798539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).