N-(3H-indol-2-ylmethyl)-2,2-dimethylpropanamide

C14H18N2O — CID 158732951

IUPACN-(3H-indol-2-ylmethyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1=Nc2ccccc2C1
InChIInChI=1S/C14H18N2O/c1-14(2,3)13(17)15-9-11-8-10-6-4-5-7-12(10)16-11/h4-7H,8-9H2,1-3H3,(H,15,17)
InChIKeyILIBTMNMSUHVIW-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.48
Rot. Bonds2

About N-(3H-indol-2-ylmethyl)-2,2-dimethylpropanamide

N-(3H-indol-2-ylmethyl)-2,2-dimethylpropanamide (PubChem CID 158732951) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(3H-indol-2-ylmethyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3H-indol-2-ylmethyl)-2,2-dimethylpropanamide
PubChem CID158732951
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(3H-indol-2-ylmethyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1=Nc2ccccc2C1
InChIInChI=1S/C14H18N2O/c1-14(2,3)13(17)15-9-11-8-10-6-4-5-7-12(10)16-11/h4-7H,8-9H2,1-3H3,(H,15,17)
InChIKeyILIBTMNMSUHVIW-UHFFFAOYSA-N
XLogP2.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3H-indol-2-ylmethyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3H-indol-2-ylmethyl)-2,2-dimethylpropanamide (CID 158732951) is N-(3H-indol-2-ylmethyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3H-indol-2-ylmethyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3H-indol-2-ylmethyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC1=Nc2ccccc2C1.
What is the InChIKey of N-(3H-indol-2-ylmethyl)-2,2-dimethylpropanamide?
The InChIKey is ILIBTMNMSUHVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-14(2,3)13(17)15-9-11-8-10-6-4-5-7-12(10)16-11/h4-7H,8-9H2,1-3H3,(H,15,17).
What are the key properties of N-(3H-indol-2-ylmethyl)-2,2-dimethylpropanamide?
N-(3H-indol-2-ylmethyl)-2,2-dimethylpropanamide has a molecular weight of 230.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-indol-2-ylmethyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 158732951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).