N'-(3,5-dimethylphenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide

C19H20N2O3 — CID 111798540

IUPACN'-(3,5-dimethylphenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1
InChIInChI=1S/C19H20N2O3/c1-11-7-12(2)9-14(8-11)20-18(23)19(24)21-17-15-6-4-3-5-13(15)10-16(17)22/h3-9,16-17,22H,10H2,1-2H3,(H,20,23)(H,21,24)/t16-,17+/m1/s1
InChIKeyYOVSTZKOXUFYFM-SJORKVTESA-N
MW324.38 g/mol
LogP2.02
Rot. Bonds2

About N'-(3,5-dimethylphenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide

N'-(3,5-dimethylphenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide (PubChem CID 111798540) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
PubChem CID111798540
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN'-(3,5-dimethylphenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1
InChIInChI=1S/C19H20N2O3/c1-11-7-12(2)9-14(8-11)20-18(23)19(24)21-17-15-6-4-3-5-13(15)10-16(17)22/h3-9,16-17,22H,10H2,1-2H3,(H,20,23)(H,21,24)/t16-,17+/m1/s1
InChIKeyYOVSTZKOXUFYFM-SJORKVTESA-N
XLogP2.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chloro-3-fluorophenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
CID 46198843
N'-(4-chloro-2-methylphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxamide
CID 111798362
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(1-methylindol-6-yl)oxamide
CID 111798539
3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide
CID 111696432
1-(4,6-dimethyl-2-pyridinyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 75523399
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
1-(4-bromo-2,6-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 52860459
1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 51094079
2-bromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methylbenzamide
CID 103862955
N'-(3,5-dimethylphenyl)-N-phenyloxamide
CID 44996455
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(3-methylphenyl)acetamide
CID 103816958
N-(2-aminoethyl)-N'-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
CID 107211873

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylphenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide?
The IUPAC name of N'-(3,5-dimethylphenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide (CID 111798540) is N'-(3,5-dimethylphenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide?
The canonical SMILES for N'-(3,5-dimethylphenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide is Cc1cc(C)cc(NC(=O)C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide?
The InChIKey is YOVSTZKOXUFYFM-SJORKVTESA-N. The full InChI is InChI=1S/C19H20N2O3/c1-11-7-12(2)9-14(8-11)20-18(23)19(24)21-17-15-6-4-3-5-13(15)10-16(17)22/h3-9,16-17,22H,10H2,1-2H3,(H,20,23)(H,21,24)/t16-,17+/m1/s1.
What are the key properties of N'-(3,5-dimethylphenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide?
N'-(3,5-dimethylphenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide has a molecular weight of 324.38 g/mol, XLogP of 2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylphenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide is sourced from PubChem (CID 111798540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).