5,7-dimethyl-3-(methylamino)-1-propyl-3H-indol-2-one

C14H20N2O — CID 114993549

IUPAC5,7-dimethyl-3-(methylamino)-1-propyl-3H-indol-2-one
SMILESCCCN1C(=O)C(NC)c2cc(C)cc(C)c21
InChIInChI=1S/C14H20N2O/c1-5-6-16-13-10(3)7-9(2)8-11(13)12(15-4)14(16)17/h7-8,12,15H,5-6H2,1-4H3
InChIKeyDEMPIMOWCKZUKP-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.32
Rot. Bonds3

About 5,7-dimethyl-3-(methylamino)-1-propyl-3H-indol-2-one

5,7-dimethyl-3-(methylamino)-1-propyl-3H-indol-2-one (PubChem CID 114993549) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 5,7-dimethyl-3-(methylamino)-1-propyl-3H-indol-2-one.

Molecular Properties

Compound Name5,7-dimethyl-3-(methylamino)-1-propyl-3H-indol-2-one
PubChem CID114993549
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name5,7-dimethyl-3-(methylamino)-1-propyl-3H-indol-2-one
SMILESCCCN1C(=O)C(NC)c2cc(C)cc(C)c21
InChIInChI=1S/C14H20N2O/c1-5-6-16-13-10(3)7-9(2)8-11(13)12(15-4)14(16)17/h7-8,12,15H,5-6H2,1-4H3
InChIKeyDEMPIMOWCKZUKP-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5,7-dimethyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 4555330
1-(3-hydroxypropyl)-7-methyl-3-(methylamino)-3H-indol-2-one
CID 115002079
N-[(3S)-5,7-dimethyl-1-[3-(4-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178779
N-[(3R)-5,7-dimethyl-2-oxo-1-(2-phenoxyethyl)-3H-indol-3-yl]acetamide
CID 9178750
N-[(3R)-5,7-dimethyl-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178752
N-[(3R)-1-benzyl-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 2223279
N-(1-benzyl-5,7-dimethyl-2-oxo-3H-indol-3-yl)acetamide
CID 2967336
N-[(3R)-5,7-dimethyl-1-[3-(3-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178778
N-[(3R)-1-[(4-butoxyphenyl)methyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178730
N-(1,5,7-trimethyl-2-oxo-3H-indol-3-yl)acetamide
CID 2968737
N-[(3S)-1-[2-(2,4-dichlorophenoxy)ethyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178767
N-[(3S)-5,7-dimethyl-1-(3-naphthalen-1-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178795

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-(methylamino)-1-propyl-3H-indol-2-one?
The IUPAC name of 5,7-dimethyl-3-(methylamino)-1-propyl-3H-indol-2-one (CID 114993549) is 5,7-dimethyl-3-(methylamino)-1-propyl-3H-indol-2-one.
What is the SMILES notation for 5,7-dimethyl-3-(methylamino)-1-propyl-3H-indol-2-one?
The canonical SMILES for 5,7-dimethyl-3-(methylamino)-1-propyl-3H-indol-2-one is CCCN1C(=O)C(NC)c2cc(C)cc(C)c21.
What is the InChIKey of 5,7-dimethyl-3-(methylamino)-1-propyl-3H-indol-2-one?
The InChIKey is DEMPIMOWCKZUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-5-6-16-13-10(3)7-9(2)8-11(13)12(15-4)14(16)17/h7-8,12,15H,5-6H2,1-4H3.
What are the key properties of 5,7-dimethyl-3-(methylamino)-1-propyl-3H-indol-2-one?
5,7-dimethyl-3-(methylamino)-1-propyl-3H-indol-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-(methylamino)-1-propyl-3H-indol-2-one is sourced from PubChem (CID 114993549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).