2-(3-aminocyclohexyl)-N-[2-(methylamino)-2-oxoethyl]acetamide

C11H21N3O2 — CID 62783174

IUPAC2-(3-aminocyclohexyl)-N-[2-(methylamino)-2-oxoethyl]acetamide
SMILESCNC(=O)CNC(=O)CC1CCCC(N)C1
InChIInChI=1S/C11H21N3O2/c1-13-11(16)7-14-10(15)6-8-3-2-4-9(12)5-8/h8-9H,2-7,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyYHNZXLUMWOOBFL-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.24
Rot. Bonds4

About 2-(3-aminocyclohexyl)-N-[2-(methylamino)-2-oxoethyl]acetamide

2-(3-aminocyclohexyl)-N-[2-(methylamino)-2-oxoethyl]acetamide (PubChem CID 62783174) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-[2-(methylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-[2-(methylamino)-2-oxoethyl]acetamide
PubChem CID62783174
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-(3-aminocyclohexyl)-N-[2-(methylamino)-2-oxoethyl]acetamide
SMILESCNC(=O)CNC(=O)CC1CCCC(N)C1
InChIInChI=1S/C11H21N3O2/c1-13-11(16)7-14-10(15)6-8-3-2-4-9(12)5-8/h8-9H,2-7,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyYHNZXLUMWOOBFL-UHFFFAOYSA-N
XLogP-0.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminocyclohexyl)-N-(2,2-dimethylpropyl)acetamide
CID 62782744
2-(3-aminocyclohexyl)-N-pentylacetamide
CID 62783155
2-(3-aminocyclohexyl)-N-propan-2-ylacetamide
CID 62777908
2-(3-aminocyclohexyl)-N-(2,3,3-trimethylbutyl)acetamide
CID 83146431
N-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide
CID 106123088
2-cyclobutyl-N-methylacetamide
CID 57296172
2-(3-aminocyclohexyl)-N-(3-ethoxypropyl)acetamide
CID 62783140
2-(3-aminocyclohexyl)-N-cyclooctylacetamide
CID 55116896
2-(3-aminocyclohexyl)-N-(oxolan-3-ylmethyl)acetamide
CID 62825268
2-(3-aminocyclohexyl)-N-(oxan-2-ylmethyl)acetamide
CID 55116671
2-(3-aminocyclohexyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide
CID 62781434
2-(cyclooctylmethylamino)-N-methylacetamide
CID 134293833

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-[2-(methylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-[2-(methylamino)-2-oxoethyl]acetamide (CID 62783174) is 2-(3-aminocyclohexyl)-N-[2-(methylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-[2-(methylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-[2-(methylamino)-2-oxoethyl]acetamide is CNC(=O)CNC(=O)CC1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-[2-(methylamino)-2-oxoethyl]acetamide?
The InChIKey is YHNZXLUMWOOBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-13-11(16)7-14-10(15)6-8-3-2-4-9(12)5-8/h8-9H,2-7,12H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-(3-aminocyclohexyl)-N-[2-(methylamino)-2-oxoethyl]acetamide?
2-(3-aminocyclohexyl)-N-[2-(methylamino)-2-oxoethyl]acetamide has a molecular weight of 227.31 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-[2-(methylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 62783174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).