N-[2-(1-adamantyl)ethyl]-3-methoxybenzamide

C20H27NO2 — CID 7751740

IUPACN-[2-(1-adamantyl)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C20H27NO2/c1-23-18-4-2-3-17(10-18)19(22)21-6-5-20-11-14-7-15(12-20)9-16(8-14)13-20/h2-4,10,14-16H,5-9,11-13H2,1H3,(H,21,22)
InChIKeySTCJIIBSURXPOX-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.03
Rot. Bonds5

About N-[2-(1-adamantyl)ethyl]-3-methoxybenzamide

N-[2-(1-adamantyl)ethyl]-3-methoxybenzamide (PubChem CID 7751740) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-3-methoxybenzamide
PubChem CID7751740
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-[2-(1-adamantyl)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C20H27NO2/c1-23-18-4-2-3-17(10-18)19(22)21-6-5-20-11-14-7-15(12-20)9-16(8-14)13-20/h2-4,10,14-16H,5-9,11-13H2,1H3,(H,21,22)
InChIKeySTCJIIBSURXPOX-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359279
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
[3-[2-[[2-(1-adamantyl)acetyl]amino]ethylcarbamoyl]phenyl] acetate
CID 108537447
N-[2-(1-adamantyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26878695
N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
N-[2-(1-adamantyl)ethyl]-4-bromobenzamide
CID 2919468
N-[2-(1-adamantyl)ethyl]-4-chlorobenzamide
CID 2918721
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
N-(2-tert-butylsulfanylethyl)-3-methoxybenzamide
CID 71879808
3-methoxy-N-tridecylbenzamide
CID 139819898
N-(6-bromohexyl)-3-methoxybenzamide
CID 114008510
N-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide
CID 113100732

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-3-methoxybenzamide (CID 7751740) is N-[2-(1-adamantyl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-3-methoxybenzamide?
The InChIKey is STCJIIBSURXPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-23-18-4-2-3-17(10-18)19(22)21-6-5-20-11-14-7-15(12-20)9-16(8-14)13-20/h2-4,10,14-16H,5-9,11-13H2,1H3,(H,21,22).
What are the key properties of N-[2-(1-adamantyl)ethyl]-3-methoxybenzamide?
N-[2-(1-adamantyl)ethyl]-3-methoxybenzamide has a molecular weight of 313.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 7751740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).