N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-propanoylphenoxy)acetamide

C23H31NO3 — CID 7695372

IUPACN-[(1S)-1-(1-adamantyl)ethyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H31NO3/c1-3-21(25)19-4-6-20(7-5-19)27-14-22(26)24-15(2)23-11-16-8-17(12-23)10-18(9-16)13-23/h4-7,15-18H,3,8-14H2,1-2H3,(H,24,26)/t15-,16?,17?,18?,23?/m0/s1
InChIKeyNJRIHYUTWLOYGJ-SCUMNGBJSA-N
MW369.51 g/mol
LogP4.38
Rot. Bonds7

About N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-propanoylphenoxy)acetamide

N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-propanoylphenoxy)acetamide (PubChem CID 7695372) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-adamantyl)ethyl]-2-(4-propanoylphenoxy)acetamide
PubChem CID7695372
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC NameN-[(1S)-1-(1-adamantyl)ethyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H31NO3/c1-3-21(25)19-4-6-20(7-5-19)27-14-22(26)24-15(2)23-11-16-8-17(12-23)10-18(9-16)13-23/h4-7,15-18H,3,8-14H2,1-2H3,(H,24,26)/t15-,16?,17?,18?,23?/m0/s1
InChIKeyNJRIHYUTWLOYGJ-SCUMNGBJSA-N
XLogP4.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 7931345
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)ethylcarbamothioyl]-2-(4-methylphenoxy)acetamide
CID 4080855
N-[1-(1-adamantyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 5234660
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 7785741
N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 9046358
N-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide
CID 7929555
N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide
CID 5162241
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] pyridine-4-carboxylate
CID 7783764

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-propanoylphenoxy)acetamide (CID 7695372) is N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-propanoylphenoxy)acetamide?
The InChIKey is NJRIHYUTWLOYGJ-SCUMNGBJSA-N. The full InChI is InChI=1S/C23H31NO3/c1-3-21(25)19-4-6-20(7-5-19)27-14-22(26)24-15(2)23-11-16-8-17(12-23)10-18(9-16)13-23/h4-7,15-18H,3,8-14H2,1-2H3,(H,24,26)/t15-,16?,17?,18?,23?/m0/s1.
What are the key properties of N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-propanoylphenoxy)acetamide?
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-propanoylphenoxy)acetamide has a molecular weight of 369.51 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 7695372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).