N-ethyl-2-[ethyl-(4-oxocyclohexyl)amino]acetamide

C12H22N2O2 — CID 114762101

IUPACN-ethyl-2-[ethyl-(4-oxocyclohexyl)amino]acetamide
SMILESCCNC(=O)CN(CC)C1CCC(=O)CC1
InChIInChI=1S/C12H22N2O2/c1-3-13-12(16)9-14(4-2)10-5-7-11(15)8-6-10/h10H,3-9H2,1-2H3,(H,13,16)
InChIKeyRINSGVTUNJUPBC-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.96
Rot. Bonds5

About N-ethyl-2-[ethyl-(4-oxocyclohexyl)amino]acetamide

N-ethyl-2-[ethyl-(4-oxocyclohexyl)amino]acetamide (PubChem CID 114762101) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-ethyl-2-[ethyl-(4-oxocyclohexyl)amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[ethyl-(4-oxocyclohexyl)amino]acetamide
PubChem CID114762101
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-ethyl-2-[ethyl-(4-oxocyclohexyl)amino]acetamide
SMILESCCNC(=O)CN(CC)C1CCC(=O)CC1
InChIInChI=1S/C12H22N2O2/c1-3-13-12(16)9-14(4-2)10-5-7-11(15)8-6-10/h10H,3-9H2,1-2H3,(H,13,16)
InChIKeyRINSGVTUNJUPBC-UHFFFAOYSA-N
XLogP0.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-(4-oxocyclohexyl)amino]-N,N-dimethylacetamide
CID 114762062
2-[(3-aminocyclohexyl)-ethylamino]-N-ethylacetamide
CID 79467932
2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetic acid
CID 60833171
methyl 2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetate
CID 80710178
N-(ethylcarbamoyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60806622
N-ethyl-2-[piperidin-4-yl(propyl)amino]acetamide
CID 60807335
N-(cyclopropylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]acetamide
CID 79120254
2-[ethyl(piperidin-4-yl)amino]-N-propylacetamide
CID 60806113
N-methyl-2-[(3-oxocyclopentyl)-propylamino]acetamide
CID 79643633
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-ethylacetamide
CID 43384134
N-benzyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide
CID 79119765
2-[cyclopentyl(ethyl)amino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
CID 87017404

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[ethyl-(4-oxocyclohexyl)amino]acetamide?
The IUPAC name of N-ethyl-2-[ethyl-(4-oxocyclohexyl)amino]acetamide (CID 114762101) is N-ethyl-2-[ethyl-(4-oxocyclohexyl)amino]acetamide.
What is the SMILES notation for N-ethyl-2-[ethyl-(4-oxocyclohexyl)amino]acetamide?
The canonical SMILES for N-ethyl-2-[ethyl-(4-oxocyclohexyl)amino]acetamide is CCNC(=O)CN(CC)C1CCC(=O)CC1.
What is the InChIKey of N-ethyl-2-[ethyl-(4-oxocyclohexyl)amino]acetamide?
The InChIKey is RINSGVTUNJUPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-13-12(16)9-14(4-2)10-5-7-11(15)8-6-10/h10H,3-9H2,1-2H3,(H,13,16).
What are the key properties of N-ethyl-2-[ethyl-(4-oxocyclohexyl)amino]acetamide?
N-ethyl-2-[ethyl-(4-oxocyclohexyl)amino]acetamide has a molecular weight of 226.32 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[ethyl-(4-oxocyclohexyl)amino]acetamide is sourced from PubChem (CID 114762101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).