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

C21H29NO2 — CID 24544705

IUPAC2-(3-hydroxy-1-adamantyl)-N-[1-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1C(C)NC(=O)CC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C21H29NO2/c1-14-5-3-4-6-18(14)15(2)22-19(23)12-20-8-16-7-17(9-20)11-21(24,10-16)13-20/h3-6,15-17,24H,7-13H2,1-2H3,(H,22,23)
InChIKeyAMVNRXXTWCVUIF-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.89
Rot. Bonds4

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

2-(3-hydroxy-1-adamantyl)-N-[1-(2-methylphenyl)ethyl]acetamide (PubChem CID 24544705) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-(3-hydroxy-1-adamantyl)-N-[1-(2-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-1-adamantyl)-N-[1-(2-methylphenyl)ethyl]acetamide
PubChem CID24544705
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name2-(3-hydroxy-1-adamantyl)-N-[1-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1C(C)NC(=O)CC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C21H29NO2/c1-14-5-3-4-6-18(14)15(2)22-19(23)12-20-8-16-7-17(9-20)11-21(24,10-16)13-20/h3-6,15-17,24H,7-13H2,1-2H3,(H,22,23)
InChIKeyAMVNRXXTWCVUIF-UHFFFAOYSA-N
XLogP3.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-hydroxy-1-adamantyl)-N-phenylacetamide
CID 18104229
2-[(5R,7R)-3-bromo-1-adamantyl]-N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]acetamide
CID 98685276
N-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide
CID 42944699
1-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43399713
N-(2,5-dimethylphenyl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetamide
CID 9034291
2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 81374930
N-[1-(2-methylphenyl)ethyl]-3-oxobutanamide
CID 18071549
N-[1-(2-methylphenyl)ethyl]-2-phenylacetamide
CID 59082083
3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 81380300
2-(cyclopentylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 81380629
N-[2-(2-cyanopropylsulfanyl)phenyl]-2-(3-hydroxy-1-adamantyl)acetamide
CID 167769199
2-(3-hydroxy-1-adamantyl)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 24540776

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1-adamantyl)-N-[1-(2-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-hydroxy-1-adamantyl)-N-[1-(2-methylphenyl)ethyl]acetamide (CID 24544705) is 2-(3-hydroxy-1-adamantyl)-N-[1-(2-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-hydroxy-1-adamantyl)-N-[1-(2-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-hydroxy-1-adamantyl)-N-[1-(2-methylphenyl)ethyl]acetamide is Cc1ccccc1C(C)NC(=O)CC12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 2-(3-hydroxy-1-adamantyl)-N-[1-(2-methylphenyl)ethyl]acetamide?
The InChIKey is AMVNRXXTWCVUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-14-5-3-4-6-18(14)15(2)22-19(23)12-20-8-16-7-17(9-20)11-21(24,10-16)13-20/h3-6,15-17,24H,7-13H2,1-2H3,(H,22,23).
What are the key properties of 2-(3-hydroxy-1-adamantyl)-N-[1-(2-methylphenyl)ethyl]acetamide?
2-(3-hydroxy-1-adamantyl)-N-[1-(2-methylphenyl)ethyl]acetamide has a molecular weight of 327.47 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1-adamantyl)-N-[1-(2-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 24544705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).