N-(2,5-dimethylphenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide

C21H33N3O2 — CID 4782331

IUPACN-(2,5-dimethylphenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(C)C(=O)N2CC(C)CC(C)C2)c1
InChIInChI=1S/C21H33N3O2/c1-14-7-8-17(4)19(10-14)22-20(25)13-23(6)18(5)21(26)24-11-15(2)9-16(3)12-24/h7-8,10,15-16,18H,9,11-13H2,1-6H3,(H,22,25)
InChIKeyXGXAZAXJBXUDEL-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.07
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide

N-(2,5-dimethylphenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide (PubChem CID 4782331) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
PubChem CID4782331
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-(2,5-dimethylphenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(C)C(=O)N2CC(C)CC(C)C2)c1
InChIInChI=1S/C21H33N3O2/c1-14-7-8-17(4)19(10-14)22-20(25)13-23(6)18(5)21(26)24-11-15(2)9-16(3)12-24/h7-8,10,15-16,18H,9,11-13H2,1-6H3,(H,22,25)
InChIKeyXGXAZAXJBXUDEL-UHFFFAOYSA-N
XLogP3.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide (CID 4782331) is N-(2,5-dimethylphenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide is Cc1ccc(C)c(NC(=O)CN(C)C(C)C(=O)N2CC(C)CC(C)C2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide?
The InChIKey is XGXAZAXJBXUDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-14-7-8-17(4)19(10-14)22-20(25)13-23(6)18(5)21(26)24-11-15(2)9-16(3)12-24/h7-8,10,15-16,18H,9,11-13H2,1-6H3,(H,22,25).
What are the key properties of N-(2,5-dimethylphenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide?
N-(2,5-dimethylphenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide has a molecular weight of 359.51 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide is sourced from PubChem (CID 4782331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).