2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-(4-methylcyclohexyl)acetamide

C16H32N2O2 — CID 107203823

IUPAC2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)CN(C)CCCCCO)CC1
InChIInChI=1S/C16H32N2O2/c1-14-7-9-15(10-8-14)18(3)16(20)13-17(2)11-5-4-6-12-19/h14-15,19H,4-13H2,1-3H3
InChIKeyAIZGGQCAWMJFSC-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.12
Rot. Bonds8

About 2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-(4-methylcyclohexyl)acetamide

2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-(4-methylcyclohexyl)acetamide (PubChem CID 107203823) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-(4-methylcyclohexyl)acetamide
PubChem CID107203823
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)CN(C)CCCCCO)CC1
InChIInChI=1S/C16H32N2O2/c1-14-7-9-15(10-8-14)18(3)16(20)13-17(2)11-5-4-6-12-19/h14-15,19H,4-13H2,1-3H3
InChIKeyAIZGGQCAWMJFSC-UHFFFAOYSA-N
XLogP2.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-(4-methylcyclohexyl)acetamide (CID 107203823) is 2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-(4-methylcyclohexyl)acetamide is CC1CCC(N(C)C(=O)CN(C)CCCCCO)CC1.
What is the InChIKey of 2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is AIZGGQCAWMJFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-14-7-9-15(10-8-14)18(3)16(20)13-17(2)11-5-4-6-12-19/h14-15,19H,4-13H2,1-3H3.
What are the key properties of 2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-(4-methylcyclohexyl)acetamide?
2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 284.44 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 107203823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).