N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-3,3-dimethylbutanamide

C17H24N2O2 — CID 110784021

IUPACN-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCc1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C17H24N2O2/c1-16(2,3)9-14(20)18-10-11-6-7-13-12(8-11)17(4,5)15(21)19-13/h6-8H,9-10H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyPDVWLBSTQYEQHM-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.97
Rot. Bonds3

About N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-3,3-dimethylbutanamide

N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-3,3-dimethylbutanamide (PubChem CID 110784021) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-3,3-dimethylbutanamide
PubChem CID110784021
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCc1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C17H24N2O2/c1-16(2,3)9-14(20)18-10-11-6-7-13-12(8-11)17(4,5)15(21)19-13/h6-8H,9-10H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyPDVWLBSTQYEQHM-UHFFFAOYSA-N
XLogP2.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-4-methoxybenzamide
CID 110784000
N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]propane-1-sulfonamide
CID 110784036
3,3-dimethyl-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]butanamide
CID 110783804
5-(bromomethyl)-3,3-dimethyl-1H-indol-2-one
CID 80500983
5-(3-amino-2-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one
CID 116997019
3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 4634724
N-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide
CID 60893152
2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-N-(1-phenylethyl)acetamide
CID 110770933
N-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 63310818
5-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,3-dimethyl-1H-indol-2-one
CID 110801562
5-(5-amino-5-methylhexyl)-3,3-dimethyl-1H-indol-2-one
CID 96669855
5-[(1-aminocyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 117332888

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-3,3-dimethylbutanamide (CID 110784021) is N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCc1ccc2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-3,3-dimethylbutanamide?
The InChIKey is PDVWLBSTQYEQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-16(2,3)9-14(20)18-10-11-6-7-13-12(8-11)17(4,5)15(21)19-13/h6-8H,9-10H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-3,3-dimethylbutanamide?
N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-3,3-dimethylbutanamide has a molecular weight of 288.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 110784021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).