3,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]-1H-indol-2-one

C15H20N2O2 — CID 82500507

IUPAC3,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]-1H-indol-2-one
SMILESCC(C)NCC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C15H20N2O2/c1-9(2)16-8-13(18)10-5-6-12-11(7-10)15(3,4)14(19)17-12/h5-7,9,16H,8H2,1-4H3,(H,17,19)
InChIKeyCWOJMLIDGXCCMA-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.10
Rot. Bonds4

About 3,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]-1H-indol-2-one

3,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]-1H-indol-2-one (PubChem CID 82500507) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]-1H-indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]-1H-indol-2-one
PubChem CID82500507
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]-1H-indol-2-one
SMILESCC(C)NCC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C15H20N2O2/c1-9(2)16-8-13(18)10-5-6-12-11(7-10)15(3,4)14(19)17-12/h5-7,9,16H,8H2,1-4H3,(H,17,19)
InChIKeyCWOJMLIDGXCCMA-UHFFFAOYSA-N
XLogP2.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-bromoacetyl)-3,3-dimethyl-1H-indol-2-one
CID 10684264
4-(3,3-dimethyl-2-oxo-1H-indole-5-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812671
2-(propan-2-ylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257733
N-(3-methoxypropyl)-3,3-dimethyl-2-oxo-1H-indole-5-carboxamide
CID 110700491
3,3-dimethyl-5-[2-(propan-2-ylamino)propyl]-1H-indol-2-one
CID 82484806
5-(1-hydroxy-3-methylbutyl)-3,3-dimethyl-1H-indol-2-one
CID 79015226
3,3-dimethyl-5-(pyrrolidine-2-carbonyl)-1H-indol-2-one
CID 80500008
5-(2,6-dimethylpiperidine-1-carbonyl)-3,3-dimethyl-1H-indol-2-one
CID 110700531
5-(1-hydroxy-4-methylpentyl)-3,3-dimethyl-1H-indol-2-one
CID 80500129
6-[2-(propan-2-ylamino)acetyl]-3H-1,3-benzoxazol-2-one
CID 13038881
N,3,3-trimethyl-2-oxo-N-phenyl-1H-indole-5-carboxamide
CID 110700546
5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one
CID 82758114

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]-1H-indol-2-one?
The IUPAC name of 3,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]-1H-indol-2-one (CID 82500507) is 3,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]-1H-indol-2-one.
What is the SMILES notation for 3,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]-1H-indol-2-one?
The canonical SMILES for 3,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]-1H-indol-2-one is CC(C)NCC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of 3,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]-1H-indol-2-one?
The InChIKey is CWOJMLIDGXCCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9(2)16-8-13(18)10-5-6-12-11(7-10)15(3,4)14(19)17-12/h5-7,9,16H,8H2,1-4H3,(H,17,19).
What are the key properties of 3,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]-1H-indol-2-one?
3,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]-1H-indol-2-one has a molecular weight of 260.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]-1H-indol-2-one is sourced from PubChem (CID 82500507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).