N-(2-amino-2-oxoethyl)-2,3-dimethylcyclohexane-1-carboxamide

C11H20N2O2 — CID 10262611

IUPACN-(2-amino-2-oxoethyl)-2,3-dimethylcyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)NCC(N)=O)C1C
InChIInChI=1S/C11H20N2O2/c1-7-4-3-5-9(8(7)2)11(15)13-6-10(12)14/h7-9H,3-6H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyVFYMOUAGFYKZFT-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.66
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-2,3-dimethylcyclohexane-1-carboxamide

N-(2-amino-2-oxoethyl)-2,3-dimethylcyclohexane-1-carboxamide (PubChem CID 10262611) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2,3-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2,3-dimethylcyclohexane-1-carboxamide
PubChem CID10262611
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-(2-amino-2-oxoethyl)-2,3-dimethylcyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)NCC(N)=O)C1C
InChIInChI=1S/C11H20N2O2/c1-7-4-3-5-9(8(7)2)11(15)13-6-10(12)14/h7-9H,3-6H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyVFYMOUAGFYKZFT-UHFFFAOYSA-N
XLogP0.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxoethyl)-2-methylcyclohexane-1-carboxamide
CID 10420268
2-amino-N-(2-amino-2-oxoethyl)-6-methylcyclohexane-1-carboxamide
CID 62778088
2-[(2-methylcyclopentanecarbonyl)amino]acetic acid
CID 107175041
N-(2-amino-2-oxoethyl)-3-methylpiperidine-2-carboxamide
CID 62338928
N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 10104138
2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418039
N-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide
CID 81450030
(1R,5S)-N-(2-amino-2-oxoethyl)tricyclo[3.3.0.02,4]oct-2(4)-ene-3-carboxamide
CID 10104431
cis-(1R,2S)-2-methylcyclopentane-1-carboxamide
CID 55289072
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide
CID 106241354
3-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylcyclohexane-1-carboxamide
CID 62783548
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylcyclopentane-1-carboxamide
CID 107184223

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2,3-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2,3-dimethylcyclohexane-1-carboxamide (CID 10262611) is N-(2-amino-2-oxoethyl)-2,3-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2,3-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2,3-dimethylcyclohexane-1-carboxamide is CC1CCCC(C(=O)NCC(N)=O)C1C.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2,3-dimethylcyclohexane-1-carboxamide?
The InChIKey is VFYMOUAGFYKZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-7-4-3-5-9(8(7)2)11(15)13-6-10(12)14/h7-9H,3-6H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of N-(2-amino-2-oxoethyl)-2,3-dimethylcyclohexane-1-carboxamide?
N-(2-amino-2-oxoethyl)-2,3-dimethylcyclohexane-1-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2,3-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 10262611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).