N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide

C21H22N2O3 — CID 71861885

IUPACN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide
SMILESO=C(Nc1cccc2c1CCCC2)C(=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C21H22N2O3/c24-18-12-14-7-2-4-10-16(14)19(18)23-21(26)20(25)22-17-11-5-8-13-6-1-3-9-15(13)17/h2,4-5,7-8,10-11,18-19,24H,1,3,6,9,12H2,(H,22,25)(H,23,26)/t18-,19+/m1/s1
InChIKeyRSOLUNXLCJWXGT-MOPGFXCFSA-N
MW350.42 g/mol
LogP2.28
Rot. Bonds2

About N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide (PubChem CID 71861885) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide
PubChem CID71861885
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide
SMILESO=C(Nc1cccc2c1CCCC2)C(=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C21H22N2O3/c24-18-12-14-7-2-4-10-16(14)19(18)23-21(26)20(25)22-17-11-5-8-13-6-1-3-9-15(13)17/h2,4-5,7-8,10-11,18-19,24H,1,3,6,9,12H2,(H,22,25)(H,23,26)/t18-,19+/m1/s1
InChIKeyRSOLUNXLCJWXGT-MOPGFXCFSA-N
XLogP2.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.28
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-2-methylphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxamide
CID 111798362
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
N'-(3,5-dimethylphenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
CID 111798540
N-(2-aminoethyl)-N'-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
CID 107211873
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N'-(2-fluoro-3-methylphenyl)oxamide
CID 167902931
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1-carboxamide
CID 112729494
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 75617082
1-(3-chloro-2-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110922075
1-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclohexane-1-carboxamide
CID 107221873
3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61368559

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide (CID 71861885) is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide is O=C(Nc1cccc2c1CCCC2)C(=O)N[C@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide?
The InChIKey is RSOLUNXLCJWXGT-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-18-12-14-7-2-4-10-16(14)19(18)23-21(26)20(25)22-17-11-5-8-13-6-1-3-9-15(13)17/h2,4-5,7-8,10-11,18-19,24H,1,3,6,9,12H2,(H,22,25)(H,23,26)/t18-,19+/m1/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide?
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide has a molecular weight of 350.42 g/mol, XLogP of 2.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 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'-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide is sourced from PubChem (CID 71861885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).