N-(1-adamantylmethyl)-3-(methoxymethyl)benzamide

C20H27NO2 — CID 28538241

IUPACN-(1-adamantylmethyl)-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C20H27NO2/c1-23-12-14-3-2-4-18(8-14)19(22)21-13-20-9-15-5-16(10-20)7-17(6-15)11-20/h2-4,8,15-17H,5-7,9-13H2,1H3,(H,21,22)
InChIKeyXYISNBIBNDOUBX-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.78
Rot. Bonds5

About N-(1-adamantylmethyl)-3-(methoxymethyl)benzamide

N-(1-adamantylmethyl)-3-(methoxymethyl)benzamide (PubChem CID 28538241) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-(methoxymethyl)benzamide
PubChem CID28538241
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-(1-adamantylmethyl)-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C20H27NO2/c1-23-12-14-3-2-4-18(8-14)19(22)21-13-20-9-15-5-16(10-20)7-17(6-15)11-20/h2-4,8,15-17H,5-7,9-13H2,1H3,(H,21,22)
InChIKeyXYISNBIBNDOUBX-UHFFFAOYSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1-adamantylmethylamino)-2-oxoethyl] 3-(methoxymethyl)benzoate
CID 9065231
N-(1-adamantylmethyl)-3-bromobenzamide
CID 4674117
N-(1-adamantylmethyl)-3-iodobenzamide
CID 7921302
N-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide
CID 4553132
3-(methoxymethyl)-N-propylbenzamide
CID 60667721
N-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26866749
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(methoxymethyl)benzamide
CID 65124255
N-(1-adamantylmethyl)naphthalene-2-carboxamide
CID 4284451
3-(methoxymethyl)-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 51316458
3-(methoxymethyl)-N-prop-2-ynylbenzamide
CID 51219689
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methoxymethyl)benzamide
CID 114630677
N-[2-(1-adamantyl)ethyl]-3-methoxybenzamide
CID 7751740

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-(methoxymethyl)benzamide?
The IUPAC name of N-(1-adamantylmethyl)-3-(methoxymethyl)benzamide (CID 28538241) is N-(1-adamantylmethyl)-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-(methoxymethyl)benzamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-(methoxymethyl)benzamide is COCc1cccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-(1-adamantylmethyl)-3-(methoxymethyl)benzamide?
The InChIKey is XYISNBIBNDOUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-23-12-14-3-2-4-18(8-14)19(22)21-13-20-9-15-5-16(10-20)7-17(6-15)11-20/h2-4,8,15-17H,5-7,9-13H2,1H3,(H,21,22).
What are the key properties of N-(1-adamantylmethyl)-3-(methoxymethyl)benzamide?
N-(1-adamantylmethyl)-3-(methoxymethyl)benzamide has a molecular weight of 313.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-(methoxymethyl)benzamide is sourced from PubChem (CID 28538241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).