2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide

C14H28N2O2 — CID 102636474

IUPAC2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN(C)C1CCCCC1O
InChIInChI=1S/C14H28N2O2/c1-10(2)11(3)15-14(18)9-16(4)12-7-5-6-8-13(12)17/h10-13,17H,5-9H2,1-4H3,(H,15,18)
InChIKeyXCAUSMMACKQPCD-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.38
Rot. Bonds5

About 2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide

2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 102636474) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide
PubChem CID102636474
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN(C)C1CCCCC1O
InChIInChI=1S/C14H28N2O2/c1-10(2)11(3)15-14(18)9-16(4)12-7-5-6-8-13(12)17/h10-13,17H,5-9H2,1-4H3,(H,15,18)
InChIKeyXCAUSMMACKQPCD-UHFFFAOYSA-N
XLogP1.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide (CID 102636474) is 2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CN(C)C1CCCCC1O.
What is the InChIKey of 2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is XCAUSMMACKQPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)11(3)15-14(18)9-16(4)12-7-5-6-8-13(12)17/h10-13,17H,5-9H2,1-4H3,(H,15,18).
What are the key properties of 2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide?
2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 102636474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).