N-methyl-N-(4-methylcyclohexyl)-3-oxobutanamide

C12H21NO2 — CID 18073230

IUPACN-methyl-N-(4-methylcyclohexyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C12H21NO2/c1-9-4-6-11(7-5-9)13(3)12(15)8-10(2)14/h9,11H,4-8H2,1-3H3
InChIKeyAQSUCNRLWCSKAW-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.00
Rot. Bonds3

About N-methyl-N-(4-methylcyclohexyl)-3-oxobutanamide

N-methyl-N-(4-methylcyclohexyl)-3-oxobutanamide (PubChem CID 18073230) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)-3-oxobutanamide
PubChem CID18073230
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-methyl-N-(4-methylcyclohexyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C12H21NO2/c1-9-4-6-11(7-5-9)13(3)12(15)8-10(2)14/h9,11H,4-8H2,1-3H3
InChIKeyAQSUCNRLWCSKAW-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-iodo-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 64786622
N-cyclopropyl-N-methyl-2-[(4-methylcyclohexyl)methylamino]acetamide
CID 55173315
3-chloro-N-methyl-N-(4-methylcyclohexyl)propanamide
CID 43346623
2-(cyclopropylmethylamino)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride
CID 119689921
N-methyl-3-oxo-N-(thiolan-3-yl)butanamide
CID 43296752
2-[2-hydroxypropyl(methyl)amino]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 55060589
3-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid
CID 61010939
5-amino-N,4-dimethyl-N-(4-methylcyclohexyl)pentanamide
CID 82011588
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 79607861
2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride
CID 119924043
N-methyl-N-(4-methylcyclohexyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301471
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 78963930

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)-3-oxobutanamide?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)-3-oxobutanamide (CID 18073230) is N-methyl-N-(4-methylcyclohexyl)-3-oxobutanamide.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)-3-oxobutanamide?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)-3-oxobutanamide is CC(=O)CC(=O)N(C)C1CCC(C)CC1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)-3-oxobutanamide?
The InChIKey is AQSUCNRLWCSKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-4-6-11(7-5-9)13(3)12(15)8-10(2)14/h9,11H,4-8H2,1-3H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)-3-oxobutanamide?
N-methyl-N-(4-methylcyclohexyl)-3-oxobutanamide has a molecular weight of 211.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)-3-oxobutanamide is sourced from PubChem (CID 18073230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).