1-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide

C12H21NO2 — CID 134371730

IUPAC1-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
SMILESCC(C)C(=O)CC1(C(N)=O)CCCCC1
InChIInChI=1S/C12H21NO2/c1-9(2)10(14)8-12(11(13)15)6-4-3-5-7-12/h9H,3-8H2,1-2H3,(H2,13,15)
InChIKeyANBFLESBQVXERF-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.04
Rot. Bonds4

About 1-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide

1-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide (PubChem CID 134371730) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
PubChem CID134371730
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
SMILESCC(C)C(=O)CC1(C(N)=O)CCCCC1
InChIInChI=1S/C12H21NO2/c1-9(2)10(14)8-12(11(13)15)6-4-3-5-7-12/h9H,3-8H2,1-2H3,(H2,13,15)
InChIKeyANBFLESBQVXERF-UHFFFAOYSA-N
XLogP2.04
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide (CID 134371730) is 1-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide is CC(C)C(=O)CC1(C(N)=O)CCCCC1.
What is the InChIKey of 1-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide?
The InChIKey is ANBFLESBQVXERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)10(14)8-12(11(13)15)6-4-3-5-7-12/h9H,3-8H2,1-2H3,(H2,13,15).
What are the key properties of 1-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide?
1-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide has a molecular weight of 211.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 134371730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).