2-(2-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide

C17H22N2O2 — CID 7117468

IUPAC2-(2-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C17H22N2O2/c1-10(2)19(11(3)4)17(21)16(20)15-12(5)18-14-9-7-6-8-13(14)15/h6-11,18H,1-5H3
InChIKeyFFLUDTZPWFKGCB-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.30
Rot. Bonds4

About 2-(2-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide

2-(2-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide (PubChem CID 7117468) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide
PubChem CID7117468
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name2-(2-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C17H22N2O2/c1-10(2)19(11(3)4)17(21)16(20)15-12(5)18-14-9-7-6-8-13(14)15/h6-11,18H,1-5H3
InChIKeyFFLUDTZPWFKGCB-UHFFFAOYSA-N
XLogP3.30
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-chloro-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 2405282
N-ethyl-2-(2-methyl-1H-indol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 7117611
CID 170645728
CID 170645728
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 804946
1-phenylethyl 2-methyl-1H-indole-3-carboxylate
CID 142169853
2-ethyl-3-methyl-1-(2-methyl-1H-indol-3-yl)butan-1-one
CID 82254393
2-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 43161219
N-cyclopropyl-4-[[cyclopropyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide
CID 38042817
(E)-4-(2-methyl-1H-indol-3-yl)pent-3-en-2-one
CID 66575320
3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)-2-(trifluoromethyl)propan-1-one
CID 103309361

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide (CID 7117468) is 2-(2-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide is Cc1[nH]c2ccccc2c1C(=O)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide?
The InChIKey is FFLUDTZPWFKGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-10(2)19(11(3)4)17(21)16(20)15-12(5)18-14-9-7-6-8-13(14)15/h6-11,18H,1-5H3.
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide?
2-(2-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide has a molecular weight of 286.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 7117468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).