1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide

C14H26N2O2 — CID 142099877

IUPAC1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
SMILESCNC(=O)[C@H](CC(C)C)C1(C(N)=O)CCCCC1
InChIInChI=1S/C14H26N2O2/c1-10(2)9-11(12(17)16-3)14(13(15)18)7-5-4-6-8-14/h10-11H,4-9H2,1-3H3,(H2,15,18)(H,16,17)/t11-/m0/s1
InChIKeyQQURRHHCORIZGE-NSHDSACASA-N
MW254.37 g/mol
LogP1.83
Rot. Bonds5

About 1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide

1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide (PubChem CID 142099877) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
PubChem CID142099877
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
SMILESCNC(=O)[C@H](CC(C)C)C1(C(N)=O)CCCCC1
InChIInChI=1S/C14H26N2O2/c1-10(2)9-11(12(17)16-3)14(13(15)18)7-5-4-6-8-14/h10-11H,4-9H2,1-3H3,(H2,15,18)(H,16,17)/t11-/m0/s1
InChIKeyQQURRHHCORIZGE-NSHDSACASA-N
XLogP1.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide (CID 142099877) is 1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide is CNC(=O)[C@H](CC(C)C)C1(C(N)=O)CCCCC1.
What is the InChIKey of 1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is QQURRHHCORIZGE-NSHDSACASA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10(2)9-11(12(17)16-3)14(13(15)18)7-5-4-6-8-14/h10-11H,4-9H2,1-3H3,(H2,15,18)(H,16,17)/t11-/m0/s1.
What are the key properties of 1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide?
1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 142099877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).