2-(1-adamantyl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide

C21H33NO — CID 129376603

IUPAC2-(1-adamantyl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide
SMILESC[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C21H33NO/c1-13(19-8-14-2-3-18(19)7-14)22-20(23)12-21-9-15-4-16(10-21)6-17(5-15)11-21/h13-19H,2-12H2,1H3,(H,22,23)/t13-,14+,15?,16?,17?,18+,19-,21?/m1/s1
InChIKeyGXCAMZXYEMWFRO-NLFDQXOLSA-N
MW315.50 g/mol
LogP4.53
Rot. Bonds4

About 2-(1-adamantyl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide

2-(1-adamantyl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide (PubChem CID 129376603) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide
PubChem CID129376603
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name2-(1-adamantyl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide
SMILESC[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C21H33NO/c1-13(19-8-14-2-3-18(19)7-14)22-20(23)12-21-9-15-4-16(10-21)6-17(5-15)11-21/h13-19H,2-12H2,1H3,(H,22,23)/t13-,14+,15?,16?,17?,18+,19-,21?/m1/s1
InChIKeyGXCAMZXYEMWFRO-NLFDQXOLSA-N
XLogP4.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(1-adamantyl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide with MolForge

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137773
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide
CID 3500052
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137772
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbutanamide
CID 98233114
methyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-4-oxobutanoate
CID 108808723
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[3-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-oxopropyl]sulfanylpropanamide
CID 100726421
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylsulfonylacetamide
CID 98784730
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-cyanoacetamide
CID 98150839
sodium 6-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-oxohexanoate
CID 154802194
4-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanamide;hydrochloride
CID 120558701
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 54924868

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide (CID 129376603) is 2-(1-adamantyl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide is C[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of 2-(1-adamantyl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide?
The InChIKey is GXCAMZXYEMWFRO-NLFDQXOLSA-N. The full InChI is InChI=1S/C21H33NO/c1-13(19-8-14-2-3-18(19)7-14)22-20(23)12-21-9-15-4-16(10-21)6-17(5-15)11-21/h13-19H,2-12H2,1H3,(H,22,23)/t13-,14+,15?,16?,17?,18+,19-,21?/m1/s1.
What are the key properties of 2-(1-adamantyl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide?
2-(1-adamantyl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide has a molecular weight of 315.50 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide is sourced from PubChem (CID 129376603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).