N-methyl-N-(4-methylcyclohexyl)but-2-enamide

C12H21NO — CID 112725199

IUPACN-methyl-N-(4-methylcyclohexyl)but-2-enamide
SMILESCC=CC(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C12H21NO/c1-4-5-12(14)13(3)11-8-6-10(2)7-9-11/h4-5,10-11H,6-9H2,1-3H3
InChIKeyUQQJGIAKZVFFNJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.60
Rot. Bonds2

About N-methyl-N-(4-methylcyclohexyl)but-2-enamide

N-methyl-N-(4-methylcyclohexyl)but-2-enamide (PubChem CID 112725199) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)but-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)but-2-enamide
PubChem CID112725199
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-methyl-N-(4-methylcyclohexyl)but-2-enamide
SMILESCC=CC(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C12H21NO/c1-4-5-12(14)13(3)11-8-6-10(2)7-9-11/h4-5,10-11H,6-9H2,1-3H3
InChIKeyUQQJGIAKZVFFNJ-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N-methylbut-2-enamide
CID 78907896
N-methyl-N-(1-methylpiperidin-3-yl)but-2-enamide
CID 79005735
(E)-3-(1,3-benzodioxol-5-yl)-N-methyl-N-(4-methylcyclohexyl)prop-2-enamide
CID 32915720
N-butyl-N-cyclopropylbut-2-enamide
CID 112726716
2-[methyl-(4-methylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43579803
2-iodo-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 64786622
N-methyl-N-(4-methylcyclohexyl)-3-oxobutanamide
CID 18073230
N-cyclobutyl-N-methyl-2-oxoacetamide
CID 115166163
3-chloro-N-methyl-N-(4-methylcyclohexyl)propanamide
CID 43346623
4-[cyclohexyl(methyl)amino]-4-oxobut-2-enoate
CID 3628246
2-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)-2-oxoacetamide
CID 61439009
N-methyl-N-piperidin-3-ylhexa-2,4-dienamide
CID 77003180

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)but-2-enamide?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)but-2-enamide (CID 112725199) is N-methyl-N-(4-methylcyclohexyl)but-2-enamide.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)but-2-enamide?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)but-2-enamide is CC=CC(=O)N(C)C1CCC(C)CC1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)but-2-enamide?
The InChIKey is UQQJGIAKZVFFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-5-12(14)13(3)11-8-6-10(2)7-9-11/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)but-2-enamide?
N-methyl-N-(4-methylcyclohexyl)but-2-enamide has a molecular weight of 195.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)but-2-enamide is sourced from PubChem (CID 112725199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).