2,6-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide

C21H29NO4 — CID 90624123

IUPAC2,6-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCC1(OC)C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H29NO4/c1-24-17-5-4-6-18(25-2)19(17)20(23)22-12-21(26-3)15-8-13-7-14(10-15)11-16(21)9-13/h4-6,13-16H,7-12H2,1-3H3,(H,22,23)
InChIKeyFKFROPKVRMIKPH-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.27
Rot. Bonds6

About 2,6-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide

2,6-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide (PubChem CID 90624123) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide
PubChem CID90624123
Molecular FormulaC21H29NO4
Molecular Weight359.47 g/mol
Exact Mass359.21
IUPAC Name2,6-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCC1(OC)C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H29NO4/c1-24-17-5-4-6-18(25-2)19(17)20(23)22-12-21(26-3)15-8-13-7-14(10-15)11-16(21)9-13/h4-6,13-16H,7-12H2,1-3H3,(H,22,23)
InChIKeyFKFROPKVRMIKPH-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

N-[(2-methoxy-2-adamantyl)methyl]-2-phenoxybenzamide
CID 90600227
N-[(2-methoxy-2-adamantyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 90624100
N'-(2,4-dimethoxyphenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide
CID 90624340
2-(2-chloro-6-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]acetamide
CID 72719733
1-[(2-methoxy-2-adamantyl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90624383
5-bromo-N-[(2-methoxy-2-adamantyl)methyl]pyridine-3-carboxamide
CID 90624152
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,6-dimethoxybenzamide
CID 114758076
N-[(3-hydroxycyclobutyl)methyl]-2,6-dimethoxybenzamide
CID 66004920
N-[2-(dimethylamino)ethyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide
CID 90624346
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
2-hydroxy-6-methoxy-N-propylbenzamide
CID 84579124

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide (CID 90624123) is 2,6-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide is COc1cccc(OC)c1C(=O)NCC1(OC)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2,6-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide?
The InChIKey is FKFROPKVRMIKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4/c1-24-17-5-4-6-18(25-2)19(17)20(23)22-12-21(26-3)15-8-13-7-14(10-15)11-16(21)9-13/h4-6,13-16H,7-12H2,1-3H3,(H,22,23).
What are the key properties of 2,6-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide?
2,6-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 2,6-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide is sourced from PubChem (CID 90624123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).