2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide

C15H25NO2 — CID 79030779

IUPAC2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
SMILESC[C@H](CO)NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO2/c1-10(9-17)16-14(18)8-15-5-11-2-12(6-15)4-13(3-11)7-15/h10-13,17H,2-9H2,1H3,(H,16,18)/t10-,11?,12?,13?,15?/m1/s1
InChIKeyRKULHDPNIKTGEX-QFGHMXTESA-N
MW251.37 g/mol
LogP2.09
Rot. Bonds4

About 2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide

2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide (PubChem CID 79030779) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
PubChem CID79030779
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
SMILESC[C@H](CO)NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO2/c1-10(9-17)16-14(18)8-15-5-11-2-12(6-15)4-13(3-11)7-15/h10-13,17H,2-9H2,1H3,(H,16,18)/t10-,11?,12?,13?,15?/m1/s1
InChIKeyRKULHDPNIKTGEX-QFGHMXTESA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[[2-(1-adamantyl)acetyl]amino]butanoic acid
CID 51885616
2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7322047
N-[(2S)-butan-2-yl]-2-[3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-1-adamantyl]acetamide
CID 7740968
(2R)-2-[[2-(1-adamantyl)acetyl]amino]-3-hydroxypropanoic acid
CID 51885575
2-(1-adamantyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide
CID 46986938
(2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid
CID 119369903
2-(1-adamantyl)-N-[(2R)-1-(1,3-thiazol-5-yl)propan-2-yl]acetamide
CID 97130798
2-(1-adamantyl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide
CID 129376603
(2R)-2-(1-adamantylmethylamino)propan-1-ol
CID 7090704
2-(1-adamantyl)-N-oxidoacetamide
CID 2050150
2-[(5R,7R)-3-bromo-1-adamantyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 100818351
2-(1-adamantyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 46997008

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide (CID 79030779) is 2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide is C[C@H](CO)NC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
The InChIKey is RKULHDPNIKTGEX-QFGHMXTESA-N. The full InChI is InChI=1S/C15H25NO2/c1-10(9-17)16-14(18)8-15-5-11-2-12(6-15)4-13(3-11)7-15/h10-13,17H,2-9H2,1H3,(H,16,18)/t10-,11?,12?,13?,15?/m1/s1.
What are the key properties of 2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide has a molecular weight of 251.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide is sourced from PubChem (CID 79030779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).