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

C20H26ClNO2 — CID 7922692

IUPACN-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
SMILESC[C@H](NC(=O)COc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26ClNO2/c1-13(20-9-14-6-15(10-20)8-16(7-14)11-20)22-19(23)12-24-18-4-2-17(21)3-5-18/h2-5,13-16H,6-12H2,1H3,(H,22,23)/t13-,14?,15?,16?,20?/m0/s1
InChIKeyITCYXXYOSYZJTM-IVKJLDKCSA-N
MW347.89 g/mol
LogP4.44
Rot. Bonds5

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

N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 7922692) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
PubChem CID7922692
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC NameN-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
SMILESC[C@H](NC(=O)COc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26ClNO2/c1-13(20-9-14-6-15(10-20)8-16(7-14)11-20)22-19(23)12-24-18-4-2-17(21)3-5-18/h2-5,13-16H,6-12H2,1H3,(H,22,23)/t13-,14?,15?,16?,20?/m0/s1
InChIKeyITCYXXYOSYZJTM-IVKJLDKCSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7929636
N-[1-(1-adamantyl)ethyl]-2-phenoxyacetamide
CID 4805369
4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 7931345
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 7695372
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323929
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323930
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 7502158
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750244
N-[1-(1-adamantyl)ethylcarbamothioyl]-2-(4-methylphenoxy)acetamide
CID 4080855
N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)acetamide
CID 7929641
N-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide
CID 4805361
N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,6-dichlorophenyl)acetamide
CID 7929651

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide (CID 7922692) is N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide is C[C@H](NC(=O)COc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is ITCYXXYOSYZJTM-IVKJLDKCSA-N. The full InChI is InChI=1S/C20H26ClNO2/c1-13(20-9-14-6-15(10-20)8-16(7-14)11-20)22-19(23)12-24-18-4-2-17(21)3-5-18/h2-5,13-16H,6-12H2,1H3,(H,22,23)/t13-,14?,15?,16?,20?/m0/s1.
What are the key properties of N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide?
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 347.89 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 7922692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).