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

C20H26ClNO — CID 3641154

IUPAC2-(1-adamantyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H26ClNO/c21-18-3-1-14(2-4-18)5-6-22-19(23)13-20-10-15-7-16(11-20)9-17(8-15)12-20/h1-4,15-17H,5-13H2,(H,22,23)
InChIKeyRTVXNTMJJWCQLQ-UHFFFAOYSA-N
MW331.89 g/mol
LogP4.61
Rot. Bonds5

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

2-(1-adamantyl)-N-[2-(4-chlorophenyl)ethyl]acetamide (PubChem CID 3641154) has the molecular formula C20H26ClNO and a molecular weight of 331.89 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
PubChem CID3641154
Molecular FormulaC20H26ClNO
Molecular Weight331.89 g/mol
Exact Mass331.17
IUPAC Name2-(1-adamantyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H26ClNO/c21-18-3-1-14(2-4-18)5-6-22-19(23)13-20-10-15-7-16(11-20)9-17(8-15)12-20/h1-4,15-17H,5-13H2,(H,22,23)
InChIKeyRTVXNTMJJWCQLQ-UHFFFAOYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-(4-chlorophenyl)ethyl]acetamide (CID 3641154) is 2-(1-adamantyl)-N-[2-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-(4-chlorophenyl)ethyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCCc1ccc(Cl)cc1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is RTVXNTMJJWCQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNO/c21-18-3-1-14(2-4-18)5-6-22-19(23)13-20-10-15-7-16(11-20)9-17(8-15)12-20/h1-4,15-17H,5-13H2,(H,22,23).
What are the key properties of 2-(1-adamantyl)-N-[2-(4-chlorophenyl)ethyl]acetamide?
2-(1-adamantyl)-N-[2-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 331.89 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 3641154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).