2-(4-aminocyclohexyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide

C13H25N3O2 — CID 62782198

IUPAC2-(4-aminocyclohexyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide
SMILESCCN(CC(=O)NC)C(=O)CC1CCC(N)CC1
InChIInChI=1S/C13H25N3O2/c1-3-16(9-12(17)15-2)13(18)8-10-4-6-11(14)7-5-10/h10-11H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyYWHHZIGFIAEESE-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.49
Rot. Bonds5

About 2-(4-aminocyclohexyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide

2-(4-aminocyclohexyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide (PubChem CID 62782198) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide
PubChem CID62782198
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-(4-aminocyclohexyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide
SMILESCCN(CC(=O)NC)C(=O)CC1CCC(N)CC1
InChIInChI=1S/C13H25N3O2/c1-3-16(9-12(17)15-2)13(18)8-10-4-6-11(14)7-5-10/h10-11H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyYWHHZIGFIAEESE-UHFFFAOYSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-aminocyclohexyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide (CID 62782198) is 2-(4-aminocyclohexyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-aminocyclohexyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-aminocyclohexyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide is CCN(CC(=O)NC)C(=O)CC1CCC(N)CC1.
What is the InChIKey of 2-(4-aminocyclohexyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide?
The InChIKey is YWHHZIGFIAEESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-16(9-12(17)15-2)13(18)8-10-4-6-11(14)7-5-10/h10-11H,3-9,14H2,1-2H3,(H,15,17).
What are the key properties of 2-(4-aminocyclohexyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide?
2-(4-aminocyclohexyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide has a molecular weight of 255.36 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 62782198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).