4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]benzamide

C21H28N2O3 — CID 7931345

IUPAC4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]benzamide
SMILESC[C@@H](NC(=O)COc1ccc(C(N)=O)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H28N2O3/c1-13(21-9-14-6-15(10-21)8-16(7-14)11-21)23-19(24)12-26-18-4-2-17(3-5-18)20(22)25/h2-5,13-16H,6-12H2,1H3,(H2,22,25)(H,23,24)/t13-,14?,15?,16?,21?/m1/s1
InChIKeyYNJWSAOLQHYCQG-BUBBNXEVSA-N
MW356.47 g/mol
LogP2.89
Rot. Bonds6

About 4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]benzamide

4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]benzamide (PubChem CID 7931345) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]benzamide
PubChem CID7931345
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]benzamide
SMILESC[C@@H](NC(=O)COc1ccc(C(N)=O)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H28N2O3/c1-13(21-9-14-6-15(10-21)8-16(7-14)11-21)23-19(24)12-26-18-4-2-17(3-5-18)20(22)25/h2-5,13-16H,6-12H2,1H3,(H2,22,25)(H,23,24)/t13-,14?,15?,16?,21?/m1/s1
InChIKeyYNJWSAOLQHYCQG-BUBBNXEVSA-N
XLogP2.89
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 7695372
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7929636
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7922692
N-[1-(1-adamantyl)ethyl]-2-phenoxyacetamide
CID 4805369
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 7502158
N-[1-(1-adamantyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 5234660
N-[1-(1-adamantyl)ethylcarbamothioyl]-2-(4-methylphenoxy)acetamide
CID 4080855
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] pyridine-4-carboxylate
CID 7783764
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 7794015
N-[1-(1-adamantyl)ethyl]-2-aminoacetamide;hydrochloride
CID 119263793
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 7785741
(2S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 119943040

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]benzamide?
The IUPAC name of 4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]benzamide (CID 7931345) is 4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]benzamide?
The canonical SMILES for 4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]benzamide is C[C@@H](NC(=O)COc1ccc(C(N)=O)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]benzamide?
The InChIKey is YNJWSAOLQHYCQG-BUBBNXEVSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-13(21-9-14-6-15(10-21)8-16(7-14)11-21)23-19(24)12-26-18-4-2-17(3-5-18)20(22)25/h2-5,13-16H,6-12H2,1H3,(H2,22,25)(H,23,24)/t13-,14?,15?,16?,21?/m1/s1.
What are the key properties of 4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]benzamide?
4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]benzamide has a molecular weight of 356.47 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 7931345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).