2-(4-hydroxy-4-methylazepan-1-yl)-N-propylacetamide

C12H24N2O2 — CID 107408408

IUPAC2-(4-hydroxy-4-methylazepan-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1CCCC(C)(O)CC1
InChIInChI=1S/C12H24N2O2/c1-3-7-13-11(15)10-14-8-4-5-12(2,16)6-9-14/h16H,3-10H2,1-2H3,(H,13,15)
InChIKeyXAFGOXFMTGZZHH-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.75
Rot. Bonds4

About 2-(4-hydroxy-4-methylazepan-1-yl)-N-propylacetamide

2-(4-hydroxy-4-methylazepan-1-yl)-N-propylacetamide (PubChem CID 107408408) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(4-hydroxy-4-methylazepan-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-hydroxy-4-methylazepan-1-yl)-N-propylacetamide
PubChem CID107408408
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(4-hydroxy-4-methylazepan-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1CCCC(C)(O)CC1
InChIInChI=1S/C12H24N2O2/c1-3-7-13-11(15)10-14-8-4-5-12(2,16)6-9-14/h16H,3-10H2,1-2H3,(H,13,15)
InChIKeyXAFGOXFMTGZZHH-UHFFFAOYSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-2-pyrrolidin-1-ylacetamide
CID 22117904
2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 107408042
2-(4-hydroxy-4-methylazepan-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 107407896
N-ethyl-3-(4-hydroxy-4-methylazepan-1-yl)propanamide
CID 107408256
1-[2-oxo-2-(propylamino)ethyl]-4-propylpiperidine-4-carboxylic acid
CID 63126994
2-(4-hydroxy-4-methylazepan-1-yl)-N-pyrimidin-2-ylacetamide
CID 107408147
N-[2-(4-hydroxy-4-methylazepan-1-yl)ethyl]acetamide
CID 107408085
N-butyl-2-pyrrolidin-1-ylacetamide
CID 110687965
ethyl 4-(4-hydroxy-4-methylazepan-1-yl)-3-oxobutanoate
CID 107405359
2-(azepan-1-yl)-N-pentylacetamide
CID 109006030
N-dodecyl-2-pyrrolidin-1-ylacetamide
CID 11971610
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 103728551

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-methylazepan-1-yl)-N-propylacetamide?
The IUPAC name of 2-(4-hydroxy-4-methylazepan-1-yl)-N-propylacetamide (CID 107408408) is 2-(4-hydroxy-4-methylazepan-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(4-hydroxy-4-methylazepan-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(4-hydroxy-4-methylazepan-1-yl)-N-propylacetamide is CCCNC(=O)CN1CCCC(C)(O)CC1.
What is the InChIKey of 2-(4-hydroxy-4-methylazepan-1-yl)-N-propylacetamide?
The InChIKey is XAFGOXFMTGZZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-7-13-11(15)10-14-8-4-5-12(2,16)6-9-14/h16H,3-10H2,1-2H3,(H,13,15).
What are the key properties of 2-(4-hydroxy-4-methylazepan-1-yl)-N-propylacetamide?
2-(4-hydroxy-4-methylazepan-1-yl)-N-propylacetamide has a molecular weight of 228.34 g/mol, XLogP of 0.75, 4 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-propylacetamide is sourced from PubChem (CID 107408408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).