N-(1-adamantylmethyl)-4-hydroxybutanamide

C15H25NO2 — CID 79205151

IUPACN-(1-adamantylmethyl)-4-hydroxybutanamide
SMILESO=C(CCCO)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO2/c17-3-1-2-14(18)16-10-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13,17H,1-10H2,(H,16,18)
InChIKeyGRVKOSGTTFTHIH-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.09
Rot. Bonds5

About N-(1-adamantylmethyl)-4-hydroxybutanamide

N-(1-adamantylmethyl)-4-hydroxybutanamide (PubChem CID 79205151) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-4-hydroxybutanamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-4-hydroxybutanamide
PubChem CID79205151
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-(1-adamantylmethyl)-4-hydroxybutanamide
SMILESO=C(CCCO)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO2/c17-3-1-2-14(18)16-10-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13,17H,1-10H2,(H,16,18)
InChIKeyGRVKOSGTTFTHIH-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

N-(1-adamantylmethyl)-3-(cyclopropylamino)propanamide
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2-[2-[2-[4-(1-adamantylmethylamino)-4-oxobutanoyl]oxyethoxy]ethoxy]ethyl 4-(1-adamantylmethylamino)-4-oxobutanoate
CID 123176729
[2-(1-adamantylmethylamino)-2-oxoethyl]-tert-butylazanium
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N-(1-adamantylmethyl)-4-(4-chlorophenyl)-4-oxobutanamide
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N-(1-adamantylmethyl)-3-phenoxypropanamide
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N-(1-adamantylmethyl)-2-(3-chloro-1-adamantyl)acetamide
CID 15998261
N-[[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide
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N-(1-adamantylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30847044
N-[4-[2-(1-adamantyl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 134037248
N-(1-adamantylmethyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 25362197
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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-4-hydroxybutanamide?
The IUPAC name of N-(1-adamantylmethyl)-4-hydroxybutanamide (CID 79205151) is N-(1-adamantylmethyl)-4-hydroxybutanamide.
What is the SMILES notation for N-(1-adamantylmethyl)-4-hydroxybutanamide?
The canonical SMILES for N-(1-adamantylmethyl)-4-hydroxybutanamide is O=C(CCCO)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-4-hydroxybutanamide?
The InChIKey is GRVKOSGTTFTHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c17-3-1-2-14(18)16-10-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13,17H,1-10H2,(H,16,18).
What are the key properties of N-(1-adamantylmethyl)-4-hydroxybutanamide?
N-(1-adamantylmethyl)-4-hydroxybutanamide has a molecular weight of 251.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-4-hydroxybutanamide is sourced from PubChem (CID 79205151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).