N-(3-hydroxycyclobutyl)-3,5-dimethyladamantane-1-carboxamide

C17H27NO2 — CID 79998220

IUPACN-(3-hydroxycyclobutyl)-3,5-dimethyladamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)NC1CC(O)C1)(C3)C2
InChIInChI=1S/C17H27NO2/c1-15-5-11-6-16(2,8-15)10-17(7-11,9-15)14(20)18-12-3-13(19)4-12/h11-13,19H,3-10H2,1-2H3,(H,18,20)
InChIKeyBEOCFXOHKDLIHX-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.62
Rot. Bonds2

About N-(3-hydroxycyclobutyl)-3,5-dimethyladamantane-1-carboxamide

N-(3-hydroxycyclobutyl)-3,5-dimethyladamantane-1-carboxamide (PubChem CID 79998220) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(3-hydroxycyclobutyl)-3,5-dimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxycyclobutyl)-3,5-dimethyladamantane-1-carboxamide
PubChem CID79998220
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-(3-hydroxycyclobutyl)-3,5-dimethyladamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)NC1CC(O)C1)(C3)C2
InChIInChI=1S/C17H27NO2/c1-15-5-11-6-16(2,8-15)10-17(7-11,9-15)14(20)18-12-3-13(19)4-12/h11-13,19H,3-10H2,1-2H3,(H,18,20)
InChIKeyBEOCFXOHKDLIHX-UHFFFAOYSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-N-pyrrolidin-3-yladamantane-1-carboxamide
CID 79997798
cis-(1S,3R)-3-[(3,5-dimethyladamantane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120674802
3,5-dimethyl-N-(2-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride
CID 120601324
2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxycyclobutyl)acetamide
CID 79988578
(3R,5S)-N-[(7R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3,5-dimethyladamantane-1-carboxamide
CID 124856853
(3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide
CID 92532292
3,5-dimethyl-N-(3-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride
CID 120555000
N-(3,5-dimethyl-1-adamantyl)adamantane-1-carboxamide
CID 171577279
(3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide
CID 98075814
N-(3-chloro-2,2-dimethylpropyl)-3,5-dimethyladamantane-1-carboxamide
CID 115364559
N-(3-hydroxycyclobutyl)-1-methylcyclopropane-1-carboxamide
CID 126981151
methyl 2-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]acetate
CID 27194648

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxycyclobutyl)-3,5-dimethyladamantane-1-carboxamide?
The IUPAC name of N-(3-hydroxycyclobutyl)-3,5-dimethyladamantane-1-carboxamide (CID 79998220) is N-(3-hydroxycyclobutyl)-3,5-dimethyladamantane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxycyclobutyl)-3,5-dimethyladamantane-1-carboxamide?
The canonical SMILES for N-(3-hydroxycyclobutyl)-3,5-dimethyladamantane-1-carboxamide is CC12CC3CC(C)(C1)CC(C(=O)NC1CC(O)C1)(C3)C2.
What is the InChIKey of N-(3-hydroxycyclobutyl)-3,5-dimethyladamantane-1-carboxamide?
The InChIKey is BEOCFXOHKDLIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-15-5-11-6-16(2,8-15)10-17(7-11,9-15)14(20)18-12-3-13(19)4-12/h11-13,19H,3-10H2,1-2H3,(H,18,20).
What are the key properties of N-(3-hydroxycyclobutyl)-3,5-dimethyladamantane-1-carboxamide?
N-(3-hydroxycyclobutyl)-3,5-dimethyladamantane-1-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxycyclobutyl)-3,5-dimethyladamantane-1-carboxamide is sourced from PubChem (CID 79998220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).