2-(4-hydroxy-4-methylazepan-1-yl)-N-(4-methylcyclohexyl)acetamide

C16H30N2O2 — CID 107407896

IUPAC2-(4-hydroxy-4-methylazepan-1-yl)-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CN2CCCC(C)(O)CC2)CC1
InChIInChI=1S/C16H30N2O2/c1-13-4-6-14(7-5-13)17-15(19)12-18-10-3-8-16(2,20)9-11-18/h13-14,20H,3-12H2,1-2H3,(H,17,19)
InChIKeyUZTYGEVAMJOKRE-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.92
Rot. Bonds3

About 2-(4-hydroxy-4-methylazepan-1-yl)-N-(4-methylcyclohexyl)acetamide

2-(4-hydroxy-4-methylazepan-1-yl)-N-(4-methylcyclohexyl)acetamide (PubChem CID 107407896) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-(4-hydroxy-4-methylazepan-1-yl)-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-4-methylazepan-1-yl)-N-(4-methylcyclohexyl)acetamide
PubChem CID107407896
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-(4-hydroxy-4-methylazepan-1-yl)-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CN2CCCC(C)(O)CC2)CC1
InChIInChI=1S/C16H30N2O2/c1-13-4-6-14(7-5-13)17-15(19)12-18-10-3-8-16(2,20)9-11-18/h13-14,20H,3-12H2,1-2H3,(H,17,19)
InChIKeyUZTYGEVAMJOKRE-UHFFFAOYSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728808
3-methyl-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 63137457
2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-(4-methylcyclohexyl)acetamide
CID 156836877
2-(4-hydroxy-4-methylazepan-1-yl)-N-propylacetamide
CID 107408408
2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 107408042
3-amino-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324715
2-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 107407870
N-(4-methylcyclohexyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
CID 120899912
2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopentylacetamide
CID 107160510
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 63248834
1-cyclohexyl-2-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107405281
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 134045389

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-methylazepan-1-yl)-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(4-hydroxy-4-methylazepan-1-yl)-N-(4-methylcyclohexyl)acetamide (CID 107407896) is 2-(4-hydroxy-4-methylazepan-1-yl)-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(4-hydroxy-4-methylazepan-1-yl)-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(4-hydroxy-4-methylazepan-1-yl)-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)CN2CCCC(C)(O)CC2)CC1.
What is the InChIKey of 2-(4-hydroxy-4-methylazepan-1-yl)-N-(4-methylcyclohexyl)acetamide?
The InChIKey is UZTYGEVAMJOKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13-4-6-14(7-5-13)17-15(19)12-18-10-3-8-16(2,20)9-11-18/h13-14,20H,3-12H2,1-2H3,(H,17,19).
What are the key properties of 2-(4-hydroxy-4-methylazepan-1-yl)-N-(4-methylcyclohexyl)acetamide?
2-(4-hydroxy-4-methylazepan-1-yl)-N-(4-methylcyclohexyl)acetamide has a molecular weight of 282.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-methylazepan-1-yl)-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 107407896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).