(2S,7aS)-2-ethyl-N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide

C14H22N2O2 — CID 102497520

IUPAC(2S,7aS)-2-ethyl-N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide
SMILESCC[C@H]1CC2=C(C)C(=O)CC[C@@H]2N1C(=O)N(C)C
InChIInChI=1S/C14H22N2O2/c1-5-10-8-11-9(2)13(17)7-6-12(11)16(10)14(18)15(3)4/h10,12H,5-8H2,1-4H3/t10-,12-/m0/s1
InChIKeyVUVCRLYHLBDQIN-JQWIXIFHSA-N
MW250.34 g/mol
LogP2.20
Rot. Bonds1

About (2S,7aS)-2-ethyl-N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide

(2S,7aS)-2-ethyl-N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide (PubChem CID 102497520) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2S,7aS)-2-ethyl-N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide.

Molecular Properties

Compound Name(2S,7aS)-2-ethyl-N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide
PubChem CID102497520
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2S,7aS)-2-ethyl-N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide
SMILESCC[C@H]1CC2=C(C)C(=O)CC[C@@H]2N1C(=O)N(C)C
InChIInChI=1S/C14H22N2O2/c1-5-10-8-11-9(2)13(17)7-6-12(11)16(10)14(18)15(3)4/h10,12H,5-8H2,1-4H3/t10-,12-/m0/s1
InChIKeyVUVCRLYHLBDQIN-JQWIXIFHSA-N
XLogP2.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S,7aS)-2-ethyl-N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,7aS)-2-ethyl-N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide?
The IUPAC name of (2S,7aS)-2-ethyl-N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide (CID 102497520) is (2S,7aS)-2-ethyl-N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide.
What is the SMILES notation for (2S,7aS)-2-ethyl-N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide?
The canonical SMILES for (2S,7aS)-2-ethyl-N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide is CC[C@H]1CC2=C(C)C(=O)CC[C@@H]2N1C(=O)N(C)C.
What is the InChIKey of (2S,7aS)-2-ethyl-N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide?
The InChIKey is VUVCRLYHLBDQIN-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-10-8-11-9(2)13(17)7-6-12(11)16(10)14(18)15(3)4/h10,12H,5-8H2,1-4H3/t10-,12-/m0/s1.
What are the key properties of (2S,7aS)-2-ethyl-N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide?
(2S,7aS)-2-ethyl-N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,7aS)-2-ethyl-N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide is sourced from PubChem (CID 102497520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).