N-(2-cyanopropan-2-yl)-2-(1H-indol-3-yl)-2-oxoacetamide

C14H13N3O2 — CID 4618284

IUPACN-(2-cyanopropan-2-yl)-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCC(C)(C#N)NC(=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H13N3O2/c1-14(2,8-15)17-13(19)12(18)10-7-16-11-6-4-3-5-9(10)11/h3-7,16H,1-2H3,(H,17,19)
InChIKeyOGKFWYIUBCFNPI-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.77
Rot. Bonds3

About N-(2-cyanopropan-2-yl)-2-(1H-indol-3-yl)-2-oxoacetamide

N-(2-cyanopropan-2-yl)-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 4618284) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID4618284
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC NameN-(2-cyanopropan-2-yl)-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCC(C)(C#N)NC(=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H13N3O2/c1-14(2,8-15)17-13(19)12(18)10-7-16-11-6-4-3-5-9(10)11/h3-7,16H,1-2H3,(H,17,19)
InChIKeyOGKFWYIUBCFNPI-UHFFFAOYSA-N
XLogP1.77
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 27161298
tert-butyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate
CID 10040581
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
N-(2-fluorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2986288
N-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117283
2-cyano-N-(1H-indol-3-yl)-2-methylpropanamide
CID 115174941
N-cyano-4-oxo-1H-quinoline-3-carboxamide
CID 79195085
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7517392
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-bis(3-methylphenyl)acetohydrazide
CID 2716307
methyl 2-(1H-indol-3-yl)prop-2-enoate
CID 116843224
ethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
CID 91288381

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-2-(1H-indol-3-yl)-2-oxoacetamide (CID 4618284) is N-(2-cyanopropan-2-yl)-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-2-(1H-indol-3-yl)-2-oxoacetamide is CC(C)(C#N)NC(=O)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(2-cyanopropan-2-yl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is OGKFWYIUBCFNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-14(2,8-15)17-13(19)12(18)10-7-16-11-6-4-3-5-9(10)11/h3-7,16H,1-2H3,(H,17,19).
What are the key properties of N-(2-cyanopropan-2-yl)-2-(1H-indol-3-yl)-2-oxoacetamide?
N-(2-cyanopropan-2-yl)-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 255.28 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 4618284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).