2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylpropyl)acetamide

C14H28N2O2 — CID 55086796

IUPAC2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC1(CO)CCC(C)CC1
InChIInChI=1S/C14H28N2O2/c1-11(2)8-15-13(18)9-16-14(10-17)6-4-12(3)5-7-14/h11-12,16-17H,4-10H2,1-3H3,(H,15,18)
InChIKeyNQUHODBUCKFPEA-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.29
Rot. Bonds6

About 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylpropyl)acetamide

2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylpropyl)acetamide (PubChem CID 55086796) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylpropyl)acetamide
PubChem CID55086796
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC1(CO)CCC(C)CC1
InChIInChI=1S/C14H28N2O2/c1-11(2)8-15-13(18)9-16-14(10-17)6-4-12(3)5-7-14/h11-12,16-17H,4-10H2,1-3H3,(H,15,18)
InChIKeyNQUHODBUCKFPEA-UHFFFAOYSA-N
XLogP1.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylpropyl)acetamide (CID 55086796) is 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNC1(CO)CCC(C)CC1.
What is the InChIKey of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylpropyl)acetamide?
The InChIKey is NQUHODBUCKFPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)8-15-13(18)9-16-14(10-17)6-4-12(3)5-7-14/h11-12,16-17H,4-10H2,1-3H3,(H,15,18).
What are the key properties of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylpropyl)acetamide?
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylpropyl)acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 55086796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).