N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)adamantane-2-carboxamide

C17H29NO3 — CID 110002882

IUPACN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)adamantane-2-carboxamide
SMILESCOCC(C)(CCO)NC(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H29NO3/c1-17(3-4-19,10-21-2)18-16(20)15-13-6-11-5-12(8-13)9-14(15)7-11/h11-15,19H,3-10H2,1-2H3,(H,18,20)
InChIKeySAAQYZMWAXALPZ-UHFFFAOYSA-N
MW295.42 g/mol
LogP1.96
Rot. Bonds6

About N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)adamantane-2-carboxamide

N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)adamantane-2-carboxamide (PubChem CID 110002882) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)adamantane-2-carboxamide
PubChem CID110002882
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)adamantane-2-carboxamide
SMILESCOCC(C)(CCO)NC(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H29NO3/c1-17(3-4-19,10-21-2)18-16(20)15-13-6-11-5-12(8-13)9-14(15)7-11/h11-15,19H,3-10H2,1-2H3,(H,18,20)
InChIKeySAAQYZMWAXALPZ-UHFFFAOYSA-N
XLogP1.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylbutan-2-yl)adamantane-2-carboxamide
CID 81096337
N-(1-amino-2-cyclopropylpropan-2-yl)adamantane-2-carboxamide
CID 81486841
2-(3,4-dichlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide
CID 110003025
N-(2-methylbut-3-yn-2-yl)adamantane-2-carboxamide
CID 78962991
4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110002940
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-1-methyl-5-phenylpyrrole-2-carboxamide
CID 110003040
N-(1-hydroxy-3-methylpentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 103945589
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide
CID 110003171
(3S)-3-[[(1R,2R)-2-cyclopropylcyclopropanecarbonyl]amino]-4-methoxy-3-methylbutanoic acid
CID 124684943
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methylthiophene-3-carboxamide
CID 110003125
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,4-dimethylbenzamide
CID 110003023
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylthiophene-2-carboxamide
CID 110003162

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)adamantane-2-carboxamide?
The IUPAC name of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)adamantane-2-carboxamide (CID 110002882) is N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)adamantane-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)adamantane-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)adamantane-2-carboxamide is COCC(C)(CCO)NC(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)adamantane-2-carboxamide?
The InChIKey is SAAQYZMWAXALPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-17(3-4-19,10-21-2)18-16(20)15-13-6-11-5-12(8-13)9-14(15)7-11/h11-15,19H,3-10H2,1-2H3,(H,18,20).
What are the key properties of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)adamantane-2-carboxamide?
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)adamantane-2-carboxamide has a molecular weight of 295.42 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)adamantane-2-carboxamide is sourced from PubChem (CID 110002882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).