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

C13H24N2O2 — CID 79120506

IUPACN-butan-2-yl-2-[methyl-(4-oxocyclohexyl)amino]acetamide
SMILESCCC(C)NC(=O)CN(C)C1CCC(=O)CC1
InChIInChI=1S/C13H24N2O2/c1-4-10(2)14-13(17)9-15(3)11-5-7-12(16)8-6-11/h10-11H,4-9H2,1-3H3,(H,14,17)
InChIKeyZTNGVKWSTKQIII-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.34
Rot. Bonds5

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

N-butan-2-yl-2-[methyl-(4-oxocyclohexyl)amino]acetamide (PubChem CID 79120506) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-butan-2-yl-2-[methyl-(4-oxocyclohexyl)amino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[methyl-(4-oxocyclohexyl)amino]acetamide
PubChem CID79120506
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-butan-2-yl-2-[methyl-(4-oxocyclohexyl)amino]acetamide
SMILESCCC(C)NC(=O)CN(C)C1CCC(=O)CC1
InChIInChI=1S/C13H24N2O2/c1-4-10(2)14-13(17)9-15(3)11-5-7-12(16)8-6-11/h10-11H,4-9H2,1-3H3,(H,14,17)
InChIKeyZTNGVKWSTKQIII-UHFFFAOYSA-N
XLogP1.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-2-[methyl-(4-oxocyclohexyl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-carbamoyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide
CID 79120015
N-(cyclopropylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]acetamide
CID 79120254
2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 79119762
N-benzyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide
CID 79119765
N-butan-2-yl-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60805793
2-[(4-hydroxycyclohexyl)-methylamino]-N-propan-2-ylacetamide
CID 114762510
N-[(2S)-1-methoxypropan-2-yl]-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 39973439
N-methyl-3-[methyl-(4-oxocyclohexyl)amino]propanamide
CID 79120336
2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]propanoic acid
CID 82041637
N-butan-2-yl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63300316
2-[[2-(butan-2-ylamino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63644616
2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(4-pyrazol-1-ylbutan-2-yl)acetamide
CID 91768318

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[methyl-(4-oxocyclohexyl)amino]acetamide?
The IUPAC name of N-butan-2-yl-2-[methyl-(4-oxocyclohexyl)amino]acetamide (CID 79120506) is N-butan-2-yl-2-[methyl-(4-oxocyclohexyl)amino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[methyl-(4-oxocyclohexyl)amino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[methyl-(4-oxocyclohexyl)amino]acetamide is CCC(C)NC(=O)CN(C)C1CCC(=O)CC1.
What is the InChIKey of N-butan-2-yl-2-[methyl-(4-oxocyclohexyl)amino]acetamide?
The InChIKey is ZTNGVKWSTKQIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-10(2)14-13(17)9-15(3)11-5-7-12(16)8-6-11/h10-11H,4-9H2,1-3H3,(H,14,17).
What are the key properties of N-butan-2-yl-2-[methyl-(4-oxocyclohexyl)amino]acetamide?
N-butan-2-yl-2-[methyl-(4-oxocyclohexyl)amino]acetamide has a molecular weight of 240.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[methyl-(4-oxocyclohexyl)amino]acetamide is sourced from PubChem (CID 79120506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).