N-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]-2-methylbenzamide

C22H30N2O2 — CID 46557706

IUPACN-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30N2O2/c1-14-5-3-4-6-19(14)21(26)23-13-20(25)24-15(2)22-10-16-7-17(11-22)9-18(8-16)12-22/h3-6,15-18H,7-13H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyNHQTUAUWLVEIQH-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.45
Rot. Bonds5

About N-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]-2-methylbenzamide

N-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]-2-methylbenzamide (PubChem CID 46557706) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]-2-methylbenzamide
PubChem CID46557706
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30N2O2/c1-14-5-3-4-6-19(14)21(26)23-13-20(25)24-15(2)22-10-16-7-17(11-22)9-18(8-16)12-22/h3-6,15-18H,7-13H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyNHQTUAUWLVEIQH-UHFFFAOYSA-N
XLogP3.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate
CID 5168894
N-[(1R)-1-(1-adamantyl)ethyl]-2,3-dimethylbenzamide
CID 7929646
N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 9046358
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489152
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
CID 42702795
[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate
CID 16540227
N-[1-(1-adamantyl)ethyl]-2,4-dimethylbenzamide
CID 3647377
N-[1-(1-adamantyl)ethyl]-2-phenoxyacetamide
CID 4805369
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-phenylbenzoate
CID 7229133
N-[1-(1-adamantyl)ethyl]-2-aminoacetamide;hydrochloride
CID 119263793
N-[2-(cyclopentylamino)-2-oxoethyl]-2-methylbenzamide
CID 18106161
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 21383192

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]-2-methylbenzamide (CID 46557706) is N-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC(=O)NC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]-2-methylbenzamide?
The InChIKey is NHQTUAUWLVEIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-14-5-3-4-6-19(14)21(26)23-13-20(25)24-15(2)22-10-16-7-17(11-22)9-18(8-16)12-22/h3-6,15-18H,7-13H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]-2-methylbenzamide?
N-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]-2-methylbenzamide has a molecular weight of 354.49 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 46557706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).