2-[2-(4-chlorophenyl)-2-adamantyl]-N-(2-hydroxyethyl)acetamide

C20H26ClNO2 — CID 3524599

IUPAC2-[2-(4-chlorophenyl)-2-adamantyl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(CC1(c2ccc(Cl)cc2)C2CC3CC(C2)CC1C3)NCCO
InChIInChI=1S/C20H26ClNO2/c21-18-3-1-15(2-4-18)20(12-19(24)22-5-6-23)16-8-13-7-14(10-16)11-17(20)9-13/h1-4,13-14,16-17,23H,5-12H2,(H,22,24)
InChIKeyOGOUTJBZNBTLDZ-UHFFFAOYSA-N
MW347.89 g/mol
LogP3.53
Rot. Bonds5

About 2-[2-(4-chlorophenyl)-2-adamantyl]-N-(2-hydroxyethyl)acetamide

2-[2-(4-chlorophenyl)-2-adamantyl]-N-(2-hydroxyethyl)acetamide (PubChem CID 3524599) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-2-adamantyl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-2-adamantyl]-N-(2-hydroxyethyl)acetamide
PubChem CID3524599
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC Name2-[2-(4-chlorophenyl)-2-adamantyl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(CC1(c2ccc(Cl)cc2)C2CC3CC(C2)CC1C3)NCCO
InChIInChI=1S/C20H26ClNO2/c21-18-3-1-15(2-4-18)20(12-19(24)22-5-6-23)16-8-13-7-14(10-16)11-17(20)9-13/h1-4,13-14,16-17,23H,5-12H2,(H,22,24)
InChIKeyOGOUTJBZNBTLDZ-UHFFFAOYSA-N
XLogP3.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-2-adamantyl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-2-adamantyl]-N-(2-hydroxyethyl)acetamide (CID 3524599) is 2-[2-(4-chlorophenyl)-2-adamantyl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-2-adamantyl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-2-adamantyl]-N-(2-hydroxyethyl)acetamide is O=C(CC1(c2ccc(Cl)cc2)C2CC3CC(C2)CC1C3)NCCO.
What is the InChIKey of 2-[2-(4-chlorophenyl)-2-adamantyl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is OGOUTJBZNBTLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNO2/c21-18-3-1-15(2-4-18)20(12-19(24)22-5-6-23)16-8-13-7-14(10-16)11-17(20)9-13/h1-4,13-14,16-17,23H,5-12H2,(H,22,24).
What are the key properties of 2-[2-(4-chlorophenyl)-2-adamantyl]-N-(2-hydroxyethyl)acetamide?
2-[2-(4-chlorophenyl)-2-adamantyl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 347.89 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-2-adamantyl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 3524599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).