3,5-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide

C21H29NO4 — CID 90624121

IUPAC3,5-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC2(OC)C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C21H29NO4/c1-24-18-9-15(10-19(11-18)25-2)20(23)22-12-21(26-3)16-5-13-4-14(7-16)8-17(21)6-13/h9-11,13-14,16-17H,4-8,12H2,1-3H3,(H,22,23)
InChIKeyVJYNXDUAKUGFPS-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.27
Rot. Bonds6

About 3,5-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide

3,5-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide (PubChem CID 90624121) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide
PubChem CID90624121
Molecular FormulaC21H29NO4
Molecular Weight359.47 g/mol
Exact Mass359.21
IUPAC Name3,5-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC2(OC)C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C21H29NO4/c1-24-18-9-15(10-19(11-18)25-2)20(23)22-12-21(26-3)16-5-13-4-14(7-16)8-17(21)6-13/h9-11,13-14,16-17H,4-8,12H2,1-3H3,(H,22,23)
InChIKeyVJYNXDUAKUGFPS-UHFFFAOYSA-N
XLogP3.27
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(2-methoxy-2-adamantyl)methyl]benzamide
CID 90624072
N-[(2-methoxy-2-adamantyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 90624100
5-bromo-N-[(2-methoxy-2-adamantyl)methyl]pyridine-3-carboxamide
CID 90624152
2,6-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide
CID 90624123
N'-(2,4-dimethoxyphenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide
CID 90624340
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663294
1-benzhydryl-3-[(2-methoxy-2-adamantyl)methyl]urea
CID 90600235
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
(2-chloroacetyl)-[[(3,5-dimethoxybenzoyl)amino]methyl]tin
CID 88771027
N-[2-(dimethylamino)ethyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide
CID 90624346

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide (CID 90624121) is 3,5-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide is COc1cc(OC)cc(C(=O)NCC2(OC)C3CC4CC(C3)CC2C4)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide?
The InChIKey is VJYNXDUAKUGFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4/c1-24-18-9-15(10-19(11-18)25-2)20(23)22-12-21(26-3)16-5-13-4-14(7-16)8-17(21)6-13/h9-11,13-14,16-17H,4-8,12H2,1-3H3,(H,22,23).
What are the key properties of 3,5-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide?
3,5-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide has a molecular weight of 359.47 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide is sourced from PubChem (CID 90624121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).