N-(1-adamantyl)-3,4,5-trimethoxybenzamide

C20H27NO4 — CID 2834613

IUPACN-(1-adamantyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc(OC)c1OC
InChIInChI=1S/C20H27NO4/c1-23-16-7-15(8-17(24-2)18(16)25-3)19(22)21-20-9-12-4-13(10-20)6-14(5-12)11-20/h7-8,12-14H,4-6,9-11H2,1-3H3,(H,21,22)
InChIKeyWKWOIXOXUWQHEB-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.41
Rot. Bonds5

About N-(1-adamantyl)-3,4,5-trimethoxybenzamide

N-(1-adamantyl)-3,4,5-trimethoxybenzamide (PubChem CID 2834613) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(1-adamantyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3,4,5-trimethoxybenzamide
PubChem CID2834613
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC NameN-(1-adamantyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc(OC)c1OC
InChIInChI=1S/C20H27NO4/c1-23-16-7-15(8-17(24-2)18(16)25-3)19(22)21-20-9-12-4-13(10-20)6-14(5-12)11-20/h7-8,12-14H,4-6,9-11H2,1-3H3,(H,21,22)
InChIKeyWKWOIXOXUWQHEB-UHFFFAOYSA-N
XLogP3.41
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Troxipide
CID 5597
N-Benzyl-3,4,5-trimethoxybenzamide
CID 736962
N-(3-ethylphenyl)-3,4,5-trimethoxybenzamide
CID 897201
3,4,5-triethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2915951
3,4,5-trimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 5006032
3,4,5-trimethoxy-N-(3-methoxypropyl)benzamide
CID 646730
N-[2-(1-cyclohexen-1-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 729877
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide
CID 2870146
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
N-adamantanyl(4-methoxyphenyl)carboxamide
CID 2802270
3-methoxy-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)benzamide
CID 3105416
N-(cyclohexylmethyl)-3,4,5-trimethoxybenzamide
CID 4336613

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(1-adamantyl)-3,4,5-trimethoxybenzamide (CID 2834613) is N-(1-adamantyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(1-adamantyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(1-adamantyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc(OC)c1OC.
What is the InChIKey of N-(1-adamantyl)-3,4,5-trimethoxybenzamide?
The InChIKey is WKWOIXOXUWQHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4/c1-23-16-7-15(8-17(24-2)18(16)25-3)19(22)21-20-9-12-4-13(10-20)6-14(5-12)11-20/h7-8,12-14H,4-6,9-11H2,1-3H3,(H,21,22).
What are the key properties of N-(1-adamantyl)-3,4,5-trimethoxybenzamide?
N-(1-adamantyl)-3,4,5-trimethoxybenzamide has a molecular weight of 345.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 2834613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).