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

C21H29NO2 — CID 2933424

IUPAC2-(1-adamantyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H29NO2/c1-14(18-3-5-19(24-2)6-4-18)22-20(23)13-21-10-15-7-16(11-21)9-17(8-15)12-21/h3-6,14-17H,7-13H2,1-2H3,(H,22,23)
InChIKeyIBSGQZGWUCTPMN-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.48
Rot. Bonds5

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

2-(1-adamantyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 2933424) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
PubChem CID2933424
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name2-(1-adamantyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H29NO2/c1-14(18-3-5-19(24-2)6-4-18)22-20(23)13-21-10-15-7-16(11-21)9-17(8-15)12-21/h3-6,14-17H,7-13H2,1-2H3,(H,22,23)
InChIKeyIBSGQZGWUCTPMN-UHFFFAOYSA-N
XLogP4.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide (CID 2933424) is 2-(1-adamantyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(C(C)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-(1-adamantyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is IBSGQZGWUCTPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-14(18-3-5-19(24-2)6-4-18)22-20(23)13-21-10-15-7-16(11-21)9-17(8-15)12-21/h3-6,14-17H,7-13H2,1-2H3,(H,22,23).
What are the key properties of 2-(1-adamantyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide?
2-(1-adamantyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 327.47 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 2933424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).