N-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide;hydrochloride

C16H25ClN2O — CID 119473758

IUPACN-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccc2c(c1)CCN2)C(C)(C)C.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-11(16(2,3)4)9-15(19)18-13-5-6-14-12(10-13)7-8-17-14;/h5-6,10-11,17H,7-9H2,1-4H3,(H,18,19);1H
InChIKeyNLZKMHNQMCSXNB-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.09
Rot. Bonds3

About N-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide;hydrochloride

N-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide;hydrochloride (PubChem CID 119473758) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide;hydrochloride
PubChem CID119473758
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccc2c(c1)CCN2)C(C)(C)C.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-11(16(2,3)4)9-15(19)18-13-5-6-14-12(10-13)7-8-17-14;/h5-6,10-11,17H,7-9H2,1-4H3,(H,18,19);1H
InChIKeyNLZKMHNQMCSXNB-UHFFFAOYSA-N
XLogP4.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide
CID 63834008
N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylacetamide;hydrochloride
CID 119473829
N-(2,3-dihydro-1H-indol-5-yl)butanamide
CID 63253204
N-(2,3-dihydro-1H-indol-5-yl)-3-methylsulfanylpropanamide;hydrochloride
CID 119473853
2-cyclobutyl-N-(2,3-dihydro-1H-indol-5-yl)acetamide;hydrochloride
CID 119473771
2-acetamido-N-(2,3-dihydro-1H-indol-5-yl)acetamide
CID 63253037
N-(2,3-dihydro-1H-indol-5-yl)-2-methoxypropanamide
CID 115736922
N-(2,3-dihydro-1H-indol-5-yl)-2-phenylacetamide
CID 63252775
N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride
CID 119473761
N-(2,3-dihydro-1H-indol-5-yl)-2-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119473855
N-(2,3-dihydro-1H-indol-5-yl)-2,2,3,3-tetrafluoropropanamide;hydrochloride
CID 119473799
3-(2,3-dihydro-1H-indol-5-yl)-1,1-diethylurea
CID 79161283

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide;hydrochloride (CID 119473758) is N-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide;hydrochloride is CC(CC(=O)Nc1ccc2c(c1)CCN2)C(C)(C)C.Cl.
What is the InChIKey of N-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide;hydrochloride?
The InChIKey is NLZKMHNQMCSXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-11(16(2,3)4)9-15(19)18-13-5-6-14-12(10-13)7-8-17-14;/h5-6,10-11,17H,7-9H2,1-4H3,(H,18,19);1H.
What are the key properties of N-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide;hydrochloride?
N-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide;hydrochloride is sourced from PubChem (CID 119473758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).