N-(cyclopropylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]acetamide

C13H22N2O2 — CID 79120254

IUPACN-(cyclopropylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]acetamide
SMILESCN(CC(=O)NCC1CC1)C1CCC(=O)CC1
InChIInChI=1S/C13H22N2O2/c1-15(11-4-6-12(16)7-5-11)9-13(17)14-8-10-2-3-10/h10-11H,2-9H2,1H3,(H,14,17)
InChIKeyAUENKRNEXOILNZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.96
Rot. Bonds5

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

N-(cyclopropylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]acetamide (PubChem CID 79120254) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]acetamide
PubChem CID79120254
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(cyclopropylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]acetamide
SMILESCN(CC(=O)NCC1CC1)C1CCC(=O)CC1
InChIInChI=1S/C13H22N2O2/c1-15(11-4-6-12(16)7-5-11)9-13(17)14-8-10-2-3-10/h10-11H,2-9H2,1H3,(H,14,17)
InChIKeyAUENKRNEXOILNZ-UHFFFAOYSA-N
XLogP0.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119913473
N-benzyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide
CID 79119765
N-carbamoyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide
CID 79120015
N-butan-2-yl-2-[methyl-(4-oxocyclohexyl)amino]acetamide
CID 79120506
2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 79119762
N-ethyl-2-[ethyl-(4-oxocyclohexyl)amino]acetamide
CID 114762101
N-methyl-3-[methyl-(4-oxocyclohexyl)amino]propanamide
CID 79120336
N-(cyclopropylmethyl)-2-[methyl(naphthalen-1-yl)amino]acetamide
CID 60573191
butyl 2-[methyl-(4-oxocyclohexyl)amino]acetate
CID 79119526
methyl 2,2-dimethyl-3-[methyl-(4-oxocyclohexyl)amino]propanoate
CID 79623383
2-[benzyl(ethyl)amino]-N-(cyclopropylmethyl)acetamide
CID 134038287
2-[[2-[cyclopropyl(methyl)amino]acetyl]amino]-N-ethylacetamide
CID 55628038

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]acetamide (CID 79120254) is N-(cyclopropylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]acetamide is CN(CC(=O)NCC1CC1)C1CCC(=O)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]acetamide?
The InChIKey is AUENKRNEXOILNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-15(11-4-6-12(16)7-5-11)9-13(17)14-8-10-2-3-10/h10-11H,2-9H2,1H3,(H,14,17).
What are the key properties of N-(cyclopropylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]acetamide?
N-(cyclopropylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]acetamide has a molecular weight of 238.33 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-(cyclopropylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]acetamide is sourced from PubChem (CID 79120254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).