N-[(4R)-1-azatricyclo[3.3.1.03,7]nonan-4-yl]-3,3-dimethyl-2-oxoindole-1-carboxamide

C19H23N3O2 — CID 54040962

IUPACN-[(4R)-1-azatricyclo[3.3.1.03,7]nonan-4-yl]-3,3-dimethyl-2-oxoindole-1-carboxamide
SMILESCC1(C)C(=O)N(C(=O)N[C@@H]2C3CC4CN(C3)CC42)c2ccccc21
InChIInChI=1S/C19H23N3O2/c1-19(2)14-5-3-4-6-15(14)22(17(19)23)18(24)20-16-12-7-11-8-21(9-12)10-13(11)16/h3-6,11-13,16H,7-10H2,1-2H3,(H,20,24)/t11?,12?,13?,16-/m1/s1
InChIKeyLMHOZBKLYUEYMZ-WHUXOIGISA-N
MW325.41 g/mol
LogP1.97
Rot. Bonds1

About N-[(4R)-1-azatricyclo[3.3.1.03,7]nonan-4-yl]-3,3-dimethyl-2-oxoindole-1-carboxamide

N-[(4R)-1-azatricyclo[3.3.1.03,7]nonan-4-yl]-3,3-dimethyl-2-oxoindole-1-carboxamide (PubChem CID 54040962) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(4R)-1-azatricyclo[3.3.1.03,7]nonan-4-yl]-3,3-dimethyl-2-oxoindole-1-carboxamide.

Molecular Properties

Compound NameN-[(4R)-1-azatricyclo[3.3.1.03,7]nonan-4-yl]-3,3-dimethyl-2-oxoindole-1-carboxamide
PubChem CID54040962
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(4R)-1-azatricyclo[3.3.1.03,7]nonan-4-yl]-3,3-dimethyl-2-oxoindole-1-carboxamide
SMILESCC1(C)C(=O)N(C(=O)N[C@@H]2C3CC4CN(C3)CC42)c2ccccc21
InChIInChI=1S/C19H23N3O2/c1-19(2)14-5-3-4-6-15(14)22(17(19)23)18(24)20-16-12-7-11-8-21(9-12)10-13(11)16/h3-6,11-13,16H,7-10H2,1-2H3,(H,20,24)/t11?,12?,13?,16-/m1/s1
InChIKeyLMHOZBKLYUEYMZ-WHUXOIGISA-N
XLogP1.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-azatricyclo[3.3.1.03,7]nonan-4-yl]-3,3-dimethyl-2-oxoindole-1-carboxamide?
The IUPAC name of N-[(4R)-1-azatricyclo[3.3.1.03,7]nonan-4-yl]-3,3-dimethyl-2-oxoindole-1-carboxamide (CID 54040962) is N-[(4R)-1-azatricyclo[3.3.1.03,7]nonan-4-yl]-3,3-dimethyl-2-oxoindole-1-carboxamide.
What is the SMILES notation for N-[(4R)-1-azatricyclo[3.3.1.03,7]nonan-4-yl]-3,3-dimethyl-2-oxoindole-1-carboxamide?
The canonical SMILES for N-[(4R)-1-azatricyclo[3.3.1.03,7]nonan-4-yl]-3,3-dimethyl-2-oxoindole-1-carboxamide is CC1(C)C(=O)N(C(=O)N[C@@H]2C3CC4CN(C3)CC42)c2ccccc21.
What is the InChIKey of N-[(4R)-1-azatricyclo[3.3.1.03,7]nonan-4-yl]-3,3-dimethyl-2-oxoindole-1-carboxamide?
The InChIKey is LMHOZBKLYUEYMZ-WHUXOIGISA-N. The full InChI is InChI=1S/C19H23N3O2/c1-19(2)14-5-3-4-6-15(14)22(17(19)23)18(24)20-16-12-7-11-8-21(9-12)10-13(11)16/h3-6,11-13,16H,7-10H2,1-2H3,(H,20,24)/t11?,12?,13?,16-/m1/s1.
What are the key properties of N-[(4R)-1-azatricyclo[3.3.1.03,7]nonan-4-yl]-3,3-dimethyl-2-oxoindole-1-carboxamide?
N-[(4R)-1-azatricyclo[3.3.1.03,7]nonan-4-yl]-3,3-dimethyl-2-oxoindole-1-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-azatricyclo[3.3.1.03,7]nonan-4-yl]-3,3-dimethyl-2-oxoindole-1-carboxamide is sourced from PubChem (CID 54040962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).