2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-[(dimethylamino)methyl]cyclohexyl]acetamide

C21H30ClN3O2 — CID 110279183

IUPAC2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-[(dimethylamino)methyl]cyclohexyl]acetamide
SMILESCN(C)CC1CCCCC1NC(=O)CN1C(=O)C(C)(C)c2cc(Cl)ccc21
InChIInChI=1S/C21H30ClN3O2/c1-21(2)16-11-15(22)9-10-18(16)25(20(21)27)13-19(26)23-17-8-6-5-7-14(17)12-24(3)4/h9-11,14,17H,5-8,12-13H2,1-4H3,(H,23,26)
InChIKeyXNSCXUJSEFZTSE-UHFFFAOYSA-N
MW391.94 g/mol
LogP3.20
Rot. Bonds5

About 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-[(dimethylamino)methyl]cyclohexyl]acetamide

2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-[(dimethylamino)methyl]cyclohexyl]acetamide (PubChem CID 110279183) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-[(dimethylamino)methyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-[(dimethylamino)methyl]cyclohexyl]acetamide
PubChem CID110279183
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC Name2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-[(dimethylamino)methyl]cyclohexyl]acetamide
SMILESCN(C)CC1CCCCC1NC(=O)CN1C(=O)C(C)(C)c2cc(Cl)ccc21
InChIInChI=1S/C21H30ClN3O2/c1-21(2)16-11-15(22)9-10-18(16)25(20(21)27)13-19(26)23-17-8-6-5-7-14(17)12-24(3)4/h9-11,14,17H,5-8,12-13H2,1-4H3,(H,23,26)
InChIKeyXNSCXUJSEFZTSE-UHFFFAOYSA-N
XLogP3.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-[(dimethylamino)methyl]cyclohexyl]acetamide?
The IUPAC name of 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-[(dimethylamino)methyl]cyclohexyl]acetamide (CID 110279183) is 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-[(dimethylamino)methyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-[(dimethylamino)methyl]cyclohexyl]acetamide?
The canonical SMILES for 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-[(dimethylamino)methyl]cyclohexyl]acetamide is CN(C)CC1CCCCC1NC(=O)CN1C(=O)C(C)(C)c2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-[(dimethylamino)methyl]cyclohexyl]acetamide?
The InChIKey is XNSCXUJSEFZTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O2/c1-21(2)16-11-15(22)9-10-18(16)25(20(21)27)13-19(26)23-17-8-6-5-7-14(17)12-24(3)4/h9-11,14,17H,5-8,12-13H2,1-4H3,(H,23,26).
What are the key properties of 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-[(dimethylamino)methyl]cyclohexyl]acetamide?
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-[(dimethylamino)methyl]cyclohexyl]acetamide has a molecular weight of 391.94 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-[(dimethylamino)methyl]cyclohexyl]acetamide is sourced from PubChem (CID 110279183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).