N-[(1R)-1-(1-adamantyl)-2-(4-methoxyanilino)-2-oxoethyl]benzamide

C26H30N2O3 — CID 7482121

IUPACN-[(1R)-1-(1-adamantyl)-2-(4-methoxyanilino)-2-oxoethyl]benzamide
SMILESCOc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C26H30N2O3/c1-31-22-9-7-21(8-10-22)27-25(30)23(28-24(29)20-5-3-2-4-6-20)26-14-17-11-18(15-26)13-19(12-17)16-26/h2-10,17-19,23H,11-16H2,1H3,(H,27,30)(H,28,29)/t17?,18?,19?,23-,26?/m0/s1
InChIKeyHUTHJAIUFWYJFL-MHLWUJJFSA-N
MW418.54 g/mol
LogP4.65
Rot. Bonds6

About N-[(1R)-1-(1-adamantyl)-2-(4-methoxyanilino)-2-oxoethyl]benzamide

N-[(1R)-1-(1-adamantyl)-2-(4-methoxyanilino)-2-oxoethyl]benzamide (PubChem CID 7482121) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)-2-(4-methoxyanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)-2-(4-methoxyanilino)-2-oxoethyl]benzamide
PubChem CID7482121
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC NameN-[(1R)-1-(1-adamantyl)-2-(4-methoxyanilino)-2-oxoethyl]benzamide
SMILESCOc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C26H30N2O3/c1-31-22-9-7-21(8-10-22)27-25(30)23(28-24(29)20-5-3-2-4-6-20)26-14-17-11-18(15-26)13-19(12-17)16-26/h2-10,17-19,23H,11-16H2,1H3,(H,27,30)(H,28,29)/t17?,18?,19?,23-,26?/m0/s1
InChIKeyHUTHJAIUFWYJFL-MHLWUJJFSA-N
XLogP4.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-(1-adamantyl)-2-[(4-methylbenzoyl)amino]acetate
CID 7079957
methyl 2-(1-adamantyl)-2-[(4-fluorobenzoyl)amino]acetate
CID 4017975
methyl (2S)-2-(1-adamantyl)-2-[(4-fluorobenzoyl)amino]acetate
CID 7065662
N-[(1R)-1-(1-adamantyl)-2-morpholin-4-yl-2-oxoethyl]benzamide
CID 7345351
methyl 2-(1-adamantyl)-2-[(3-chlorobenzoyl)amino]acetate
CID 2882583
N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide
CID 8572532
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 7800864
N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 9046358
N-[1-(1-adamantyl)-2-(benzylamino)-2-oxoethyl]-4-fluorobenzamide
CID 2882532
(1S,8R)-N-(4-methoxyphenyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide
CID 935322
N-[1-(1-adamantyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide
CID 17454177

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)-2-(4-methoxyanilino)-2-oxoethyl]benzamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)-2-(4-methoxyanilino)-2-oxoethyl]benzamide (CID 7482121) is N-[(1R)-1-(1-adamantyl)-2-(4-methoxyanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)-2-(4-methoxyanilino)-2-oxoethyl]benzamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)-2-(4-methoxyanilino)-2-oxoethyl]benzamide is COc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)-2-(4-methoxyanilino)-2-oxoethyl]benzamide?
The InChIKey is HUTHJAIUFWYJFL-MHLWUJJFSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-31-22-9-7-21(8-10-22)27-25(30)23(28-24(29)20-5-3-2-4-6-20)26-14-17-11-18(15-26)13-19(12-17)16-26/h2-10,17-19,23H,11-16H2,1H3,(H,27,30)(H,28,29)/t17?,18?,19?,23-,26?/m0/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)-2-(4-methoxyanilino)-2-oxoethyl]benzamide?
N-[(1R)-1-(1-adamantyl)-2-(4-methoxyanilino)-2-oxoethyl]benzamide has a molecular weight of 418.54 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)-2-(4-methoxyanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 7482121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).