2-(azepan-1-yl)-N-[1-(3-hydroxy-1-adamantyl)ethyl]acetamide

C20H34N2O2 — CID 131947274

IUPAC2-(azepan-1-yl)-N-[1-(3-hydroxy-1-adamantyl)ethyl]acetamide
SMILESCC(NC(=O)CN1CCCCCC1)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C20H34N2O2/c1-15(21-18(23)13-22-6-4-2-3-5-7-22)19-9-16-8-17(10-19)12-20(24,11-16)14-19/h15-17,24H,2-14H2,1H3,(H,21,23)
InChIKeyUOQCPOJHMJCXMD-UHFFFAOYSA-N
MW334.50 g/mol
LogP2.70
Rot. Bonds4

About 2-(azepan-1-yl)-N-[1-(3-hydroxy-1-adamantyl)ethyl]acetamide

2-(azepan-1-yl)-N-[1-(3-hydroxy-1-adamantyl)ethyl]acetamide (PubChem CID 131947274) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[1-(3-hydroxy-1-adamantyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[1-(3-hydroxy-1-adamantyl)ethyl]acetamide
PubChem CID131947274
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name2-(azepan-1-yl)-N-[1-(3-hydroxy-1-adamantyl)ethyl]acetamide
SMILESCC(NC(=O)CN1CCCCCC1)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C20H34N2O2/c1-15(21-18(23)13-22-6-4-2-3-5-7-22)19-9-16-8-17(10-19)12-20(24,11-16)14-19/h15-17,24H,2-14H2,1H3,(H,21,23)
InChIKeyUOQCPOJHMJCXMD-UHFFFAOYSA-N
XLogP2.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[1-(3-hydroxy-1-adamantyl)ethylamino]-3-oxopropyl]piperidine-4-carboxamide
CID 131931276
N-[1-(3-hydroxy-1-adamantyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 56754877
2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 86908322
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylacetamide
CID 6981850
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylacetamide
CID 98219029
N-(1-adamantyl)-2-piperidin-1-ylacetamide chloride
CID 21236481
(2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-pyrrolidin-1-ylethanone
CID 11173505
N-[1-(1-adamantyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108509038
N-[(1S)-1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide
CID 7395653
N-[(1R)-1-[(5R,7R)-3-hydroxy-1-adamantyl]ethyl]-2-methoxypyrimidine-5-carboxamide
CID 99957505
N-[1-(1-adamantyl)ethyl]-4-methylpentanamide
CID 112789585
2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7322047

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[1-(3-hydroxy-1-adamantyl)ethyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[1-(3-hydroxy-1-adamantyl)ethyl]acetamide (CID 131947274) is 2-(azepan-1-yl)-N-[1-(3-hydroxy-1-adamantyl)ethyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[1-(3-hydroxy-1-adamantyl)ethyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[1-(3-hydroxy-1-adamantyl)ethyl]acetamide is CC(NC(=O)CN1CCCCCC1)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 2-(azepan-1-yl)-N-[1-(3-hydroxy-1-adamantyl)ethyl]acetamide?
The InChIKey is UOQCPOJHMJCXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-15(21-18(23)13-22-6-4-2-3-5-7-22)19-9-16-8-17(10-19)12-20(24,11-16)14-19/h15-17,24H,2-14H2,1H3,(H,21,23).
What are the key properties of 2-(azepan-1-yl)-N-[1-(3-hydroxy-1-adamantyl)ethyl]acetamide?
2-(azepan-1-yl)-N-[1-(3-hydroxy-1-adamantyl)ethyl]acetamide has a molecular weight of 334.50 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[1-(3-hydroxy-1-adamantyl)ethyl]acetamide is sourced from PubChem (CID 131947274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).