N-[(2S)-1-hydroxybutan-2-yl]adamantane-1-carboxamide

C15H25NO2 — CID 40570555

IUPACN-[(2S)-1-hydroxybutan-2-yl]adamantane-1-carboxamide
SMILESCC[C@@H](CO)NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO2/c1-2-13(9-17)16-14(18)15-6-10-3-11(7-15)5-12(4-10)8-15/h10-13,17H,2-9H2,1H3,(H,16,18)/t10?,11?,12?,13-,15?/m0/s1
InChIKeyAATGQCLERYCAET-MFORYBBRSA-N
MW251.37 g/mol
LogP2.09
Rot. Bonds4

About N-[(2S)-1-hydroxybutan-2-yl]adamantane-1-carboxamide

N-[(2S)-1-hydroxybutan-2-yl]adamantane-1-carboxamide (PubChem CID 40570555) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]adamantane-1-carboxamide
PubChem CID40570555
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]adamantane-1-carboxamide
SMILESCC[C@@H](CO)NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO2/c1-2-13(9-17)16-14(18)15-6-10-3-11(7-15)5-12(4-10)8-15/h10-13,17H,2-9H2,1H3,(H,16,18)/t10?,11?,12?,13-,15?/m0/s1
InChIKeyAATGQCLERYCAET-MFORYBBRSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide
CID 65315657
N-(1-aminobutan-2-yl)adamantane-1-carboxamide
CID 63754089
N-[(3S)-3-(adamantane-1-carbonylamino)pentyl]adamantane-1-carboxamide
CID 7418135
N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyladamantane-1-carboxamide
CID 103919782
N-(1-amino-1-hydroxyiminopentan-3-yl)adamantane-1-carboxamide
CID 76947751
1-(1-adamantyl)-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 73348824
(2S)-2-(adamantane-1-carbonylamino)butanoic acid
CID 7128727
N-heptan-2-yladamantane-1-carboxamide
CID 4093732
N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 51175307
N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide
CID 7065184
N-[(2S)-1-hydroxybutan-2-yl]-2-methylthiolane-2-carboxamide
CID 104981247
N-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide
CID 7106778

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]adamantane-1-carboxamide (CID 40570555) is N-[(2S)-1-hydroxybutan-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]adamantane-1-carboxamide is CC[C@@H](CO)NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]adamantane-1-carboxamide?
The InChIKey is AATGQCLERYCAET-MFORYBBRSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-13(9-17)16-14(18)15-6-10-3-11(7-15)5-12(4-10)8-15/h10-13,17H,2-9H2,1H3,(H,16,18)/t10?,11?,12?,13-,15?/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]adamantane-1-carboxamide?
N-[(2S)-1-hydroxybutan-2-yl]adamantane-1-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 40570555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).