2-(3-aminocyclohexyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide

C13H25N3O2 — CID 62781434

IUPAC2-(3-aminocyclohexyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide
SMILESCCNC(=O)CN(C)C(=O)CC1CCCC(N)C1
InChIInChI=1S/C13H25N3O2/c1-3-15-12(17)9-16(2)13(18)8-10-5-4-6-11(14)7-10/h10-11H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyROYRQFUOFUSFFC-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.49
Rot. Bonds5

About 2-(3-aminocyclohexyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide

2-(3-aminocyclohexyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide (PubChem CID 62781434) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide
PubChem CID62781434
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-(3-aminocyclohexyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide
SMILESCCNC(=O)CN(C)C(=O)CC1CCCC(N)C1
InChIInChI=1S/C13H25N3O2/c1-3-15-12(17)9-16(2)13(18)8-10-5-4-6-11(14)7-10/h10-11H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyROYRQFUOFUSFFC-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-(3-aminocyclohexyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide (CID 62781434) is 2-(3-aminocyclohexyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide is CCNC(=O)CN(C)C(=O)CC1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is ROYRQFUOFUSFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-15-12(17)9-16(2)13(18)8-10-5-4-6-11(14)7-10/h10-11H,3-9,14H2,1-2H3,(H,15,17).
What are the key properties of 2-(3-aminocyclohexyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide?
2-(3-aminocyclohexyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide 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-(3-aminocyclohexyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 62781434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).