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

C20H31NO — CID 25362197

IUPACN-(1-adamantylmethyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESO=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H31NO/c22-19(8-18-7-13-1-2-17(18)6-13)21-12-20-9-14-3-15(10-20)5-16(4-14)11-20/h13-18H,1-12H2,(H,21,22)/t13-,14?,15?,16?,17+,18-,20?/m0/s1
InChIKeyDLFGIOABLIJWKZ-MLRXMUJOSA-N
MW301.47 g/mol
LogP4.15
Rot. Bonds4

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

N-(1-adamantylmethyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide (PubChem CID 25362197) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
PubChem CID25362197
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC NameN-(1-adamantylmethyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESO=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H31NO/c22-19(8-18-7-13-1-2-17(18)6-13)21-12-20-9-14-3-15(10-20)5-16(4-14)11-20/h13-18H,1-12H2,(H,21,22)/t13-,14?,15?,16?,17+,18-,20?/m0/s1
InChIKeyDLFGIOABLIJWKZ-MLRXMUJOSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81369663
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromopropyl)acetamide
CID 43133583
2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide
CID 78784658
2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 18558210
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119499875
2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chlorocyclohexyl)methyl]acetamide
CID 106133993
2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydroxypropyl)acetamide
CID 66177065
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504552
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
CID 11923510
2-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-2-hydroxybutyl]acetamide
CID 126836505
N-[[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide
CID 23308521
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyanopropyl)acetamide
CID 55209376

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide (CID 25362197) is N-(1-adamantylmethyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide is O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide?
The InChIKey is DLFGIOABLIJWKZ-MLRXMUJOSA-N. The full InChI is InChI=1S/C20H31NO/c22-19(8-18-7-13-1-2-17(18)6-13)21-12-20-9-14-3-15(10-20)5-16(4-14)11-20/h13-18H,1-12H2,(H,21,22)/t13-,14?,15?,16?,17+,18-,20?/m0/s1.
What are the key properties of N-(1-adamantylmethyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide?
N-(1-adamantylmethyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide has a molecular weight of 301.47 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide is sourced from PubChem (CID 25362197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).