N-[1-(3-hydroxy-1-adamantyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide

C17H26N4O2 — CID 56754877

IUPACN-[1-(3-hydroxy-1-adamantyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(NC(=O)CCn1cncn1)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C17H26N4O2/c1-12(20-15(22)2-3-21-11-18-10-19-21)16-5-13-4-14(6-16)8-17(23,7-13)9-16/h10-14,23H,2-9H2,1H3,(H,20,22)
InChIKeyGJIQCYKUOABJSO-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.50
Rot. Bonds5

About N-[1-(3-hydroxy-1-adamantyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[1-(3-hydroxy-1-adamantyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 56754877) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[1-(3-hydroxy-1-adamantyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(3-hydroxy-1-adamantyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID56754877
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[1-(3-hydroxy-1-adamantyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(NC(=O)CCn1cncn1)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C17H26N4O2/c1-12(20-15(22)2-3-21-11-18-10-19-21)16-5-13-4-14(6-16)8-17(23,7-13)9-16/h10-14,23H,2-9H2,1H3,(H,20,22)
InChIKeyGJIQCYKUOABJSO-UHFFFAOYSA-N
XLogP1.50
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[1-(3-hydroxy-1-adamantyl)ethylamino]-3-oxopropyl]piperidine-4-carboxamide
CID 131931276
N-[(1R)-1-(1-adamantyl)ethyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 40761680
2-(3-bromo-1-adamantyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
CID 60559230
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 94094184
2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid
CID 43469556
N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 83032454
3,3-dimethyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid
CID 43467801
3-methyl-1-[3-(1,2,4-triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 61291446
N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63733343
N-(1-hydroxypentan-3-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 115735088
N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 125438783
N-[1-(1-adamantyl)ethyl]-2-aminoacetamide;hydrochloride
CID 119263793

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxy-1-adamantyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[1-(3-hydroxy-1-adamantyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 56754877) is N-[1-(3-hydroxy-1-adamantyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(3-hydroxy-1-adamantyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[1-(3-hydroxy-1-adamantyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide is CC(NC(=O)CCn1cncn1)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of N-[1-(3-hydroxy-1-adamantyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is GJIQCYKUOABJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12(20-15(22)2-3-21-11-18-10-19-21)16-5-13-4-14(6-16)8-17(23,7-13)9-16/h10-14,23H,2-9H2,1H3,(H,20,22).
What are the key properties of N-[1-(3-hydroxy-1-adamantyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[1-(3-hydroxy-1-adamantyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 318.42 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxy-1-adamantyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 56754877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).