4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxamide

C14H28N2O2 — CID 43748713

IUPAC4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxamide
SMILESCOC(C)(C)CC(C)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C14H28N2O2/c1-10(9-14(2,3)18-4)16-12-7-5-11(6-8-12)13(15)17/h10-12,16H,5-9H2,1-4H3,(H2,15,17)
InChIKeyAQTUYDINTITKFW-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.82
Rot. Bonds6

About 4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxamide

4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxamide (PubChem CID 43748713) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxamide
PubChem CID43748713
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxamide
SMILESCOC(C)(C)CC(C)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C14H28N2O2/c1-10(9-14(2,3)18-4)16-12-7-5-11(6-8-12)13(15)17/h10-12,16H,5-9H2,1-4H3,(H2,15,17)
InChIKeyAQTUYDINTITKFW-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxamide (CID 43748713) is 4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxamide is COC(C)(C)CC(C)NC1CCC(C(N)=O)CC1.
What is the InChIKey of 4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is AQTUYDINTITKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(9-14(2,3)18-4)16-12-7-5-11(6-8-12)13(15)17/h10-12,16H,5-9H2,1-4H3,(H2,15,17).
What are the key properties of 4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxamide?
4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 43748713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).