N-(1-adamantylmethyl)-2-(azetidin-3-yl)-N-methylpropanamide

C18H30N2O — CID 116676401

IUPACN-(1-adamantylmethyl)-2-(azetidin-3-yl)-N-methylpropanamide
SMILESCC(C(=O)N(C)CC12CC3CC(CC(C3)C1)C2)C1CNC1
InChIInChI=1S/C18H30N2O/c1-12(16-9-19-10-16)17(21)20(2)11-18-6-13-3-14(7-18)5-15(4-13)8-18/h12-16,19H,3-11H2,1-2H3
InChIKeyVVXRTELVIJDTON-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.52
Rot. Bonds4

About N-(1-adamantylmethyl)-2-(azetidin-3-yl)-N-methylpropanamide

N-(1-adamantylmethyl)-2-(azetidin-3-yl)-N-methylpropanamide (PubChem CID 116676401) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-(azetidin-3-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-(azetidin-3-yl)-N-methylpropanamide
PubChem CID116676401
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(1-adamantylmethyl)-2-(azetidin-3-yl)-N-methylpropanamide
SMILESCC(C(=O)N(C)CC12CC3CC(CC(C3)C1)C2)C1CNC1
InChIInChI=1S/C18H30N2O/c1-12(16-9-19-10-16)17(21)20(2)11-18-6-13-3-14(7-18)5-15(4-13)8-18/h12-16,19H,3-11H2,1-2H3
InChIKeyVVXRTELVIJDTON-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[1-(1-adamantyl)ethyl]-N-(2-methylpropyl)butanediamide
CID 164616312
4-(dimethylamino)-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]butanamide
CID 134792774
N-(1-adamantylmethyl)acetamide
CID 2835982
N-(1-adamantylmethyl)-2,2-dimethylpropanamide
CID 4112017
N-[2-(diethylamino)ethyl]-1-adamantanecarboxamide
CID 212875
N-[2-(1-adamantyl)ethyl]-2,2-dimethylpropanamide
CID 2918104
N-Isopentyl-1-adamantanecarboxamide
CID 585483
N-[3-(dimethylamino)propyl]adamantane-1-carboxamide
CID 2831272
N-[2-(1-adamantyl)ethyl]acetamide
CID 2918808
N-[2-(1-adamantyl)ethyl]propanamide
CID 2919430
N-[(3,5-dimethyl-1-adamantyl)methyl]acetamide
CID 5186800
2-((3r,5r,7r)-adamantan-1-yl)-N-(2-(dimethylamino)ethyl)acetamide
CID 64379

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-(azetidin-3-yl)-N-methylpropanamide?
The IUPAC name of N-(1-adamantylmethyl)-2-(azetidin-3-yl)-N-methylpropanamide (CID 116676401) is N-(1-adamantylmethyl)-2-(azetidin-3-yl)-N-methylpropanamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-(azetidin-3-yl)-N-methylpropanamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-(azetidin-3-yl)-N-methylpropanamide is CC(C(=O)N(C)CC12CC3CC(CC(C3)C1)C2)C1CNC1.
What is the InChIKey of N-(1-adamantylmethyl)-2-(azetidin-3-yl)-N-methylpropanamide?
The InChIKey is VVXRTELVIJDTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-12(16-9-19-10-16)17(21)20(2)11-18-6-13-3-14(7-18)5-15(4-13)8-18/h12-16,19H,3-11H2,1-2H3.
What are the key properties of N-(1-adamantylmethyl)-2-(azetidin-3-yl)-N-methylpropanamide?
N-(1-adamantylmethyl)-2-(azetidin-3-yl)-N-methylpropanamide has a molecular weight of 290.45 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-(azetidin-3-yl)-N-methylpropanamide is sourced from PubChem (CID 116676401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).