3-(hexan-2-ylamino)-1-methyl-3H-indol-2-one

C15H22N2O — CID 114999516

IUPAC3-(hexan-2-ylamino)-1-methyl-3H-indol-2-one
SMILESCCCCC(C)NC1C(=O)N(C)c2ccccc21
InChIInChI=1S/C15H22N2O/c1-4-5-8-11(2)16-14-12-9-6-7-10-13(12)17(3)15(14)18/h6-7,9-11,14,16H,4-5,8H2,1-3H3
InChIKeyRHTXSYUNROFJTN-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.87
Rot. Bonds5

About 3-(hexan-2-ylamino)-1-methyl-3H-indol-2-one

3-(hexan-2-ylamino)-1-methyl-3H-indol-2-one (PubChem CID 114999516) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(hexan-2-ylamino)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name3-(hexan-2-ylamino)-1-methyl-3H-indol-2-one
PubChem CID114999516
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(hexan-2-ylamino)-1-methyl-3H-indol-2-one
SMILESCCCCC(C)NC1C(=O)N(C)c2ccccc21
InChIInChI=1S/C15H22N2O/c1-4-5-8-11(2)16-14-12-9-6-7-10-13(12)17(3)15(14)18/h6-7,9-11,14,16H,4-5,8H2,1-3H3
InChIKeyRHTXSYUNROFJTN-UHFFFAOYSA-N
XLogP2.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(butylamino)-1-methyl-3H-indol-2-one
CID 82238881
3-(3-hydroxypropylamino)-1-methyl-3H-indol-2-one
CID 82238882
3-(2-hydroxyethylamino)-1-methyl-3H-indol-2-one
CID 82236769
N-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-N'-[(2R)-4-phenylbutan-2-yl]oxamide
CID 51972137
3-(1-butyl-2-oxo-3H-indol-3-yl)-1-methyl-3H-indol-2-one
CID 101259896
(3R)-3-ethyl-1-methyl-3H-indol-2-one
CID 51382688
(2-oxo-1-pentyl-3H-indol-3-yl)carbamic acid
CID 69107894
3-(methylamino)-1-(3-methylbutyl)-3H-indol-2-one
CID 114993591
ethyl 2-(ethoxycarbonylamino)-2-(1-methyl-2-oxo-3H-indol-3-yl)acetate
CID 44613236
N-[3-(diethylamino)propyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 40947557
N-[3-(diethylamino)propyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 29075014
3-(ethylamino)-1-propyl-3H-indol-2-one
CID 82238885

Frequently Asked Questions

What is the IUPAC name of 3-(hexan-2-ylamino)-1-methyl-3H-indol-2-one?
The IUPAC name of 3-(hexan-2-ylamino)-1-methyl-3H-indol-2-one (CID 114999516) is 3-(hexan-2-ylamino)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 3-(hexan-2-ylamino)-1-methyl-3H-indol-2-one?
The canonical SMILES for 3-(hexan-2-ylamino)-1-methyl-3H-indol-2-one is CCCCC(C)NC1C(=O)N(C)c2ccccc21.
What is the InChIKey of 3-(hexan-2-ylamino)-1-methyl-3H-indol-2-one?
The InChIKey is RHTXSYUNROFJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-5-8-11(2)16-14-12-9-6-7-10-13(12)17(3)15(14)18/h6-7,9-11,14,16H,4-5,8H2,1-3H3.
What are the key properties of 3-(hexan-2-ylamino)-1-methyl-3H-indol-2-one?
3-(hexan-2-ylamino)-1-methyl-3H-indol-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hexan-2-ylamino)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 114999516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).