N-(2,5-diacetyl-1H-indol-6-yl)-2-(dimethylamino)acetamide

C16H19N3O3 — CID 90083485

IUPACN-(2,5-diacetyl-1H-indol-6-yl)-2-(dimethylamino)acetamide
SMILESCC(=O)c1cc2cc(C(C)=O)c(NC(=O)CN(C)C)cc2[nH]1
InChIInChI=1S/C16H19N3O3/c1-9(20)12-5-11-6-13(10(2)21)17-14(11)7-15(12)18-16(22)8-19(3)4/h5-7,17H,8H2,1-4H3,(H,18,22)
InChIKeySQNHNADGURCCAN-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.07
Rot. Bonds5

About N-(2,5-diacetyl-1H-indol-6-yl)-2-(dimethylamino)acetamide

N-(2,5-diacetyl-1H-indol-6-yl)-2-(dimethylamino)acetamide (PubChem CID 90083485) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(2,5-diacetyl-1H-indol-6-yl)-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-(2,5-diacetyl-1H-indol-6-yl)-2-(dimethylamino)acetamide
PubChem CID90083485
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(2,5-diacetyl-1H-indol-6-yl)-2-(dimethylamino)acetamide
SMILESCC(=O)c1cc2cc(C(C)=O)c(NC(=O)CN(C)C)cc2[nH]1
InChIInChI=1S/C16H19N3O3/c1-9(20)12-5-11-6-13(10(2)21)17-14(11)7-15(12)18-16(22)8-19(3)4/h5-7,17H,8H2,1-4H3,(H,18,22)
InChIKeySQNHNADGURCCAN-UHFFFAOYSA-N
XLogP2.07
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-diacetyl-1H-indol-6-yl)-2-(dimethylamino)acetamide?
The IUPAC name of N-(2,5-diacetyl-1H-indol-6-yl)-2-(dimethylamino)acetamide (CID 90083485) is N-(2,5-diacetyl-1H-indol-6-yl)-2-(dimethylamino)acetamide.
What is the SMILES notation for N-(2,5-diacetyl-1H-indol-6-yl)-2-(dimethylamino)acetamide?
The canonical SMILES for N-(2,5-diacetyl-1H-indol-6-yl)-2-(dimethylamino)acetamide is CC(=O)c1cc2cc(C(C)=O)c(NC(=O)CN(C)C)cc2[nH]1.
What is the InChIKey of N-(2,5-diacetyl-1H-indol-6-yl)-2-(dimethylamino)acetamide?
The InChIKey is SQNHNADGURCCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-9(20)12-5-11-6-13(10(2)21)17-14(11)7-15(12)18-16(22)8-19(3)4/h5-7,17H,8H2,1-4H3,(H,18,22).
What are the key properties of N-(2,5-diacetyl-1H-indol-6-yl)-2-(dimethylamino)acetamide?
N-(2,5-diacetyl-1H-indol-6-yl)-2-(dimethylamino)acetamide has a molecular weight of 301.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diacetyl-1H-indol-6-yl)-2-(dimethylamino)acetamide is sourced from PubChem (CID 90083485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).