2-[(1-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide

C14H28N2O2 — CID 65108696

IUPAC2-[(1-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CNCC1(O)CCCCC1
InChIInChI=1S/C14H28N2O2/c1-11(2)12(3)16-13(17)9-15-10-14(18)7-5-4-6-8-14/h11-12,15,18H,4-10H2,1-3H3,(H,16,17)
InChIKeyHYJJFZFYQSTWLR-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.43
Rot. Bonds6

About 2-[(1-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide

2-[(1-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 65108696) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[(1-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(1-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
PubChem CID65108696
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[(1-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CNCC1(O)CCCCC1
InChIInChI=1S/C14H28N2O2/c1-11(2)12(3)16-13(17)9-15-10-14(18)7-5-4-6-8-14/h11-12,15,18H,4-10H2,1-3H3,(H,16,17)
InChIKeyHYJJFZFYQSTWLR-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[(1-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide (CID 65108696) is 2-[(1-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(1-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(1-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CNCC1(O)CCCCC1.
What is the InChIKey of 2-[(1-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is HYJJFZFYQSTWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)12(3)16-13(17)9-15-10-14(18)7-5-4-6-8-14/h11-12,15,18H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[(1-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide?
2-[(1-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 65108696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).