N-(1,5,7-trimethyl-2-oxo-3H-indol-3-yl)acetamide

C13H16N2O2 — CID 2968737

IUPACN-(1,5,7-trimethyl-2-oxo-3H-indol-3-yl)acetamide
SMILESCC(=O)NC1C(=O)N(C)c2c(C)cc(C)cc21
InChIInChI=1S/C13H16N2O2/c1-7-5-8(2)12-10(6-7)11(14-9(3)16)13(17)15(12)4/h5-6,11H,1-4H3,(H,14,16)
InChIKeyUOSXWDGWTTUWCD-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.46
Rot. Bonds1

About N-(1,5,7-trimethyl-2-oxo-3H-indol-3-yl)acetamide

N-(1,5,7-trimethyl-2-oxo-3H-indol-3-yl)acetamide (PubChem CID 2968737) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(1,5,7-trimethyl-2-oxo-3H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,5,7-trimethyl-2-oxo-3H-indol-3-yl)acetamide
PubChem CID2968737
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(1,5,7-trimethyl-2-oxo-3H-indol-3-yl)acetamide
SMILESCC(=O)NC1C(=O)N(C)c2c(C)cc(C)cc21
InChIInChI=1S/C13H16N2O2/c1-7-5-8(2)12-10(6-7)11(14-9(3)16)13(17)15(12)4/h5-6,11H,1-4H3,(H,14,16)
InChIKeyUOSXWDGWTTUWCD-UHFFFAOYSA-N
XLogP1.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.46
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
N-(1-benzyl-5,7-dimethyl-2-oxo-3H-indol-3-yl)acetamide
CID 2967336
N-[(3R)-1-benzyl-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 2223279
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)-5,7-dimethyl-1-[3-(3-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178778
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
N-[(3R)-1-[3-(2,4-dichlorophenoxy)propyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178794
N-[(3R)-1-[(4-butoxyphenyl)methyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178730
N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-prop-2-enoxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 9178720

Frequently Asked Questions

What is the IUPAC name of N-(1,5,7-trimethyl-2-oxo-3H-indol-3-yl)acetamide?
The IUPAC name of N-(1,5,7-trimethyl-2-oxo-3H-indol-3-yl)acetamide (CID 2968737) is N-(1,5,7-trimethyl-2-oxo-3H-indol-3-yl)acetamide.
What is the SMILES notation for N-(1,5,7-trimethyl-2-oxo-3H-indol-3-yl)acetamide?
The canonical SMILES for N-(1,5,7-trimethyl-2-oxo-3H-indol-3-yl)acetamide is CC(=O)NC1C(=O)N(C)c2c(C)cc(C)cc21.
What is the InChIKey of N-(1,5,7-trimethyl-2-oxo-3H-indol-3-yl)acetamide?
The InChIKey is UOSXWDGWTTUWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-7-5-8(2)12-10(6-7)11(14-9(3)16)13(17)15(12)4/h5-6,11H,1-4H3,(H,14,16).
What are the key properties of N-(1,5,7-trimethyl-2-oxo-3H-indol-3-yl)acetamide?
N-(1,5,7-trimethyl-2-oxo-3H-indol-3-yl)acetamide has a molecular weight of 232.28 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5,7-trimethyl-2-oxo-3H-indol-3-yl)acetamide is sourced from PubChem (CID 2968737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).