N-(1-ethyl-3,3-dimethyl-2-oxoindol-5-yl)formamide

C13H16N2O2 — CID 168651738

IUPACN-(1-ethyl-3,3-dimethyl-2-oxoindol-5-yl)formamide
SMILESCCN1C(=O)C(C)(C)c2cc(NC=O)ccc21
InChIInChI=1S/C13H16N2O2/c1-4-15-11-6-5-9(14-8-16)7-10(11)13(2,3)12(15)17/h5-8H,4H2,1-3H3,(H,14,16)
InChIKeyVVJYHHHVMTWRLY-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.90
Rot. Bonds3

About N-(1-ethyl-3,3-dimethyl-2-oxoindol-5-yl)formamide

N-(1-ethyl-3,3-dimethyl-2-oxoindol-5-yl)formamide (PubChem CID 168651738) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(1-ethyl-3,3-dimethyl-2-oxoindol-5-yl)formamide.

Molecular Properties

Compound NameN-(1-ethyl-3,3-dimethyl-2-oxoindol-5-yl)formamide
PubChem CID168651738
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(1-ethyl-3,3-dimethyl-2-oxoindol-5-yl)formamide
SMILESCCN1C(=O)C(C)(C)c2cc(NC=O)ccc21
InChIInChI=1S/C13H16N2O2/c1-4-15-11-6-5-9(14-8-16)7-10(11)13(2,3)12(15)17/h5-8H,4H2,1-3H3,(H,14,16)
InChIKeyVVJYHHHVMTWRLY-UHFFFAOYSA-N
XLogP1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,3-dimethyl-2-oxoindol-5-yl)formamide?
The IUPAC name of N-(1-ethyl-3,3-dimethyl-2-oxoindol-5-yl)formamide (CID 168651738) is N-(1-ethyl-3,3-dimethyl-2-oxoindol-5-yl)formamide.
What is the SMILES notation for N-(1-ethyl-3,3-dimethyl-2-oxoindol-5-yl)formamide?
The canonical SMILES for N-(1-ethyl-3,3-dimethyl-2-oxoindol-5-yl)formamide is CCN1C(=O)C(C)(C)c2cc(NC=O)ccc21.
What is the InChIKey of N-(1-ethyl-3,3-dimethyl-2-oxoindol-5-yl)formamide?
The InChIKey is VVJYHHHVMTWRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-15-11-6-5-9(14-8-16)7-10(11)13(2,3)12(15)17/h5-8H,4H2,1-3H3,(H,14,16).
What are the key properties of N-(1-ethyl-3,3-dimethyl-2-oxoindol-5-yl)formamide?
N-(1-ethyl-3,3-dimethyl-2-oxoindol-5-yl)formamide has a molecular weight of 232.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,3-dimethyl-2-oxoindol-5-yl)formamide is sourced from PubChem (CID 168651738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).