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

C16H22N2O — CID 110782396

IUPACN-[(1,2-dimethylindol-3-yl)methyl]-2,2-dimethylpropanamide
SMILESCc1c(CNC(=O)C(C)(C)C)c2ccccc2n1C
InChIInChI=1S/C16H22N2O/c1-11-13(10-17-15(19)16(2,3)4)12-8-6-7-9-14(12)18(11)5/h6-9H,10H2,1-5H3,(H,17,19)
InChIKeyKPLOQCOXIBSYBL-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.15
Rot. Bonds2

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

N-[(1,2-dimethylindol-3-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 110782396) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-3-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-3-yl)methyl]-2,2-dimethylpropanamide
PubChem CID110782396
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[(1,2-dimethylindol-3-yl)methyl]-2,2-dimethylpropanamide
SMILESCc1c(CNC(=O)C(C)(C)C)c2ccccc2n1C
InChIInChI=1S/C16H22N2O/c1-11-13(10-17-15(19)16(2,3)4)12-8-6-7-9-14(12)18(11)5/h6-9H,10H2,1-5H3,(H,17,19)
InChIKeyKPLOQCOXIBSYBL-UHFFFAOYSA-N
XLogP3.15
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(1,2-dimethylindol-3-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110782421
N-[(1,2-dimethylindol-3-yl)methyl]pyrazine-2-carboxamide
CID 110794096
N-[(1,2-dimethylindol-3-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 110782432
2-(1,2-dimethylindol-3-yl)acetamide
CID 67627690
2-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 110768837
2-[(1,2-dimethylindol-3-yl)methylamino]propan-1-ol
CID 82475346
2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110768838
N-tert-butyl-4-[2-(1,2-dimethylindol-3-yl)acetyl]piperazine-1-carboxamide
CID 110813029
N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-fluorobenzamide
CID 113085569
N-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
CID 110768882
2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82242835
N-[(1,2-dimethylindol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110782446

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-3-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(1,2-dimethylindol-3-yl)methyl]-2,2-dimethylpropanamide (CID 110782396) is N-[(1,2-dimethylindol-3-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(1,2-dimethylindol-3-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(1,2-dimethylindol-3-yl)methyl]-2,2-dimethylpropanamide is Cc1c(CNC(=O)C(C)(C)C)c2ccccc2n1C.
What is the InChIKey of N-[(1,2-dimethylindol-3-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is KPLOQCOXIBSYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-13(10-17-15(19)16(2,3)4)12-8-6-7-9-14(12)18(11)5/h6-9H,10H2,1-5H3,(H,17,19).
What are the key properties of N-[(1,2-dimethylindol-3-yl)methyl]-2,2-dimethylpropanamide?
N-[(1,2-dimethylindol-3-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 258.36 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylindol-3-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 110782396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).