N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2,2-dimethylpropanamide

C16H23NO2 — CID 91631261

IUPACN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCOC1(CNC(=O)C(C)(C)C)Cc2ccccc2C1
InChIInChI=1S/C16H23NO2/c1-15(2,3)14(18)17-11-16(19-4)9-12-7-5-6-8-13(12)10-16/h5-8H,9-11H2,1-4H3,(H,17,18)
InChIKeyOZPZKMLOCMJNMV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.33
Rot. Bonds3

About N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2,2-dimethylpropanamide

N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 91631261) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2,2-dimethylpropanamide
PubChem CID91631261
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCOC1(CNC(=O)C(C)(C)C)Cc2ccccc2C1
InChIInChI=1S/C16H23NO2/c1-15(2,3)14(18)17-11-16(19-4)9-12-7-5-6-8-13(12)10-16/h5-8H,9-11H2,1-4H3,(H,17,18)
InChIKeyOZPZKMLOCMJNMV-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-N-[(2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]propanamide
CID 91631320
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-3-(4-(trifluoromethyl)phenyl)propanamide
CID 91631323
methyl ((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)carbamate
CID 91631159
1-(((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)amino)-2-methyl-1-oxopropan-2-yl acetate
CID 91631197
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 91631274
2-(cyclopentylthio)-N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)acetamide
CID 91631279
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-3-(phenylthio)propanamide
CID 91631297
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 91631305
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)cyclohex-3-enecarboxamide
CID 91631310
N1-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)oxalamide
CID 91631365
1-(tert-butyl)-3-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)urea
CID 91631367
2-(4-fluorophenyl)-N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)acetamide
CID 91631275

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2,2-dimethylpropanamide (CID 91631261) is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2,2-dimethylpropanamide is COC1(CNC(=O)C(C)(C)C)Cc2ccccc2C1.
What is the InChIKey of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is OZPZKMLOCMJNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-15(2,3)14(18)17-11-16(19-4)9-12-7-5-6-8-13(12)10-16/h5-8H,9-11H2,1-4H3,(H,17,18).
What are the key properties of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2,2-dimethylpropanamide?
N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 91631261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).