N-[(2-methoxy-2-adamantyl)methyl]-2,4-dimethylbenzamide

C21H29NO2 — CID 90624081

IUPACN-[(2-methoxy-2-adamantyl)methyl]-2,4-dimethylbenzamide
SMILESCOC1(CNC(=O)c2ccc(C)cc2C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H29NO2/c1-13-4-5-19(14(2)6-13)20(23)22-12-21(24-3)17-8-15-7-16(10-17)11-18(21)9-15/h4-6,15-18H,7-12H2,1-3H3,(H,22,23)
InChIKeyHXYZNZIXDGXPII-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.87
Rot. Bonds4

About N-[(2-methoxy-2-adamantyl)methyl]-2,4-dimethylbenzamide

N-[(2-methoxy-2-adamantyl)methyl]-2,4-dimethylbenzamide (PubChem CID 90624081) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is N-[(2-methoxy-2-adamantyl)methyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2-methoxy-2-adamantyl)methyl]-2,4-dimethylbenzamide
PubChem CID90624081
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC NameN-[(2-methoxy-2-adamantyl)methyl]-2,4-dimethylbenzamide
SMILESCOC1(CNC(=O)c2ccc(C)cc2C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H29NO2/c1-13-4-5-19(14(2)6-13)20(23)22-12-21(24-3)17-8-15-7-16(10-17)11-18(21)9-15/h4-6,15-18H,7-12H2,1-3H3,(H,22,23)
InChIKeyHXYZNZIXDGXPII-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[(2-methoxy-2-adamantyl)methyl]benzamide
CID 90624072
3,5-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide
CID 90624121
2,6-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide
CID 90624123
N-[(2-methoxy-2-adamantyl)methyl]-2-phenoxybenzamide
CID 90600227
N-[(2-methoxy-2-adamantyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 90624211
ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide
CID 178149105
N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide
CID 111445481
N-[(2-methoxy-2-adamantyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 90624100
N-[(2-methoxy-2-adamantyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 72719721
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide
CID 114760620
N-[(2-methoxy-2-adamantyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 90624337
1-benzhydryl-3-[(2-methoxy-2-adamantyl)methyl]urea
CID 90600235

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-2-adamantyl)methyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[(2-methoxy-2-adamantyl)methyl]-2,4-dimethylbenzamide (CID 90624081) is N-[(2-methoxy-2-adamantyl)methyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[(2-methoxy-2-adamantyl)methyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[(2-methoxy-2-adamantyl)methyl]-2,4-dimethylbenzamide is COC1(CNC(=O)c2ccc(C)cc2C)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[(2-methoxy-2-adamantyl)methyl]-2,4-dimethylbenzamide?
The InChIKey is HXYZNZIXDGXPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-13-4-5-19(14(2)6-13)20(23)22-12-21(24-3)17-8-15-7-16(10-17)11-18(21)9-15/h4-6,15-18H,7-12H2,1-3H3,(H,22,23).
What are the key properties of N-[(2-methoxy-2-adamantyl)methyl]-2,4-dimethylbenzamide?
N-[(2-methoxy-2-adamantyl)methyl]-2,4-dimethylbenzamide has a molecular weight of 327.47 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-2-adamantyl)methyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 90624081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).