methane;4-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide

C13H25NO2 — CID 159920641

IUPACmethane;4-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
SMILESC.CC(C)C(=O)CC1CCC(C(N)=O)CC1
InChIInChI=1S/C12H21NO2.CH4/c1-8(2)11(14)7-9-3-5-10(6-4-9)12(13)15;/h8-10H,3-7H2,1-2H3,(H2,13,15);1H4
InChIKeyNYIUDIUKXWTOCU-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.53
Rot. Bonds4

About methane;4-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide

methane;4-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide (PubChem CID 159920641) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is methane;4-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namemethane;4-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
PubChem CID159920641
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namemethane;4-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
SMILESC.CC(C)C(=O)CC1CCC(C(N)=O)CC1
InChIInChI=1S/C12H21NO2.CH4/c1-8(2)11(14)7-9-3-5-10(6-4-9)12(13)15;/h8-10H,3-7H2,1-2H3,(H2,13,15);1H4
InChIKeyNYIUDIUKXWTOCU-UHFFFAOYSA-N
XLogP2.53
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[4-(2-methylpropyl)cyclohexyl]butan-2-one
CID 153444618
4-(hydrazinylmethyl)cyclohexane-1-carboxamide
CID 123819630
(3R)-3-amino-1-cyclopropylbutan-2-one
CID 96732436
3-methyl-1-(3-methylcyclopentyl)butan-2-one
CID 167693796
ethane;3-methyl-1-piperidin-4-ylbutan-2-one
CID 172604297
3-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one
CID 153390625
cyclopropanecarboxamide;cyclopropylmethanamine
CID 175374528
4-(2-oxoethyl)cyclohexane-1-carboxamide
CID 87477686
cyclopropanecarboxamide;propanamide
CID 174752815
3-methyl-1-(1-methyliodanuidylpiperidin-4-yl)butan-2-one
CID 172604494
1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-methylbutan-2-one
CID 155710662
3-methyl-1-(3-methylcyclobutyl)butan-2-one
CID 157464694

Frequently Asked Questions

What is the IUPAC name of methane;4-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide?
The IUPAC name of methane;4-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide (CID 159920641) is methane;4-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for methane;4-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide?
The canonical SMILES for methane;4-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide is C.CC(C)C(=O)CC1CCC(C(N)=O)CC1.
What is the InChIKey of methane;4-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide?
The InChIKey is NYIUDIUKXWTOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2.CH4/c1-8(2)11(14)7-9-3-5-10(6-4-9)12(13)15;/h8-10H,3-7H2,1-2H3,(H2,13,15);1H4.
What are the key properties of methane;4-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide?
methane;4-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 159920641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).