N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methylpropanamide

C16H27NO2 — CID 162496168

IUPACN-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C16H27NO2/c1-10(2)14(18)17-11(3)15-5-12-4-13(6-15)8-16(19,7-12)9-15/h10-13,19H,4-9H2,1-3H3,(H,17,18)
InChIKeyJSZLSBONNUSBQG-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.48
Rot. Bonds3

About N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methylpropanamide

N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methylpropanamide (PubChem CID 162496168) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methylpropanamide
PubChem CID162496168
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C16H27NO2/c1-10(2)14(18)17-11(3)15-5-12-4-13(6-15)8-16(19,7-12)9-15/h10-13,19H,4-9H2,1-3H3,(H,17,18)
InChIKeyJSZLSBONNUSBQG-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-N-[1-(3-hydroxy-1-adamantyl)ethyl]acetamide
CID 131947274
N-[(1R)-1-[(5R,7R)-3-hydroxy-1-adamantyl]ethyl]-2-methoxypyrimidine-5-carboxamide
CID 99957505
(5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol
CID 23309248
N-[1-(1-adamantyl)ethyl]-2-methoxypropanamide
CID 47300282
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
N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methoxypyridine-4-carboxamide
CID 131909299
N-[1-(1-adamantyl)ethyl]-2-aminoacetamide;hydrochloride
CID 119263793
(5S,7S)-3-[(1S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl]adamantan-1-ol
CID 98329428
(5R,7R)-3-[(1R)-1-[[(2R)-5-methylhex-5-en-2-yl]amino]ethyl]adamantan-1-ol
CID 129418828
(5S,7R)-3-pentan-3-yladamantan-1-ol
CID 10775431
N-(2-acetamidophenyl)-2-[[(1S)-1-[(5S,7S)-3-hydroxy-1-adamantyl]ethyl]amino]acetamide
CID 98271399

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methylpropanamide (CID 162496168) is N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methylpropanamide is CC(C)C(=O)NC(C)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methylpropanamide?
The InChIKey is JSZLSBONNUSBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-10(2)14(18)17-11(3)15-5-12-4-13(6-15)8-16(19,7-12)9-15/h10-13,19H,4-9H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methylpropanamide?
N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methylpropanamide has a molecular weight of 265.40 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 162496168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).