2-(1-adamantyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide

C21H29NO2 — CID 46997008

IUPAC2-(1-adamantyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C21H29NO2/c23-14-19(9-15-4-2-1-3-5-15)22-20(24)13-21-10-16-6-17(11-21)8-18(7-16)12-21/h1-5,16-19,23H,6-14H2,(H,22,24)/t16?,17?,18?,19-,21?/m1/s1
InChIKeyYTUIRZCBDUNAQP-VJJCQHNBSA-N
MW327.47 g/mol
LogP3.31
Rot. Bonds6

About 2-(1-adamantyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide

2-(1-adamantyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide (PubChem CID 46997008) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
PubChem CID46997008
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name2-(1-adamantyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C21H29NO2/c23-14-19(9-15-4-2-1-3-5-15)22-20(24)13-21-10-16-6-17(11-21)8-18(7-16)12-21/h1-5,16-19,23H,6-14H2,(H,22,24)/t16?,17?,18?,19-,21?/m1/s1
InChIKeyYTUIRZCBDUNAQP-VJJCQHNBSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
(3S)-3-[[(2S)-2-[[2-(1-adamantyl)acetyl]amino]-4-methylpentanoyl]amino]-2-oxo-4-phenylbutanoic acid
CID 24906165
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
(2R)-2-[[2-(1-adamantyl)acetyl]amino]-3-hydroxypropanoic acid
CID 51885575
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 63261025
2-(1-adamantyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide
CID 46986938
2-(cyclopentylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 107860961
2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 102673858
2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114010079
2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79030779
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopent-2-ene-1-carboxamide
CID 107863124
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide
CID 101173549

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide (CID 46997008) is 2-(1-adamantyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of 2-(1-adamantyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide?
The InChIKey is YTUIRZCBDUNAQP-VJJCQHNBSA-N. The full InChI is InChI=1S/C21H29NO2/c23-14-19(9-15-4-2-1-3-5-15)22-20(24)13-21-10-16-6-17(11-21)8-18(7-16)12-21/h1-5,16-19,23H,6-14H2,(H,22,24)/t16?,17?,18?,19-,21?/m1/s1.
What are the key properties of 2-(1-adamantyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide?
2-(1-adamantyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide has a molecular weight of 327.47 g/mol, XLogP of 3.31, 6 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-hydroxy-3-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 46997008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).