2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]-N,N-dimethylacetamide

C22H29NO3 — CID 59322105

IUPAC2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(OCC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H29NO3/c1-23(2)21(25)10-15-3-5-19(6-4-15)26-14-20(24)22-11-16-7-17(12-22)9-18(8-16)13-22/h3-6,16-18H,7-14H2,1-2H3
InChIKeyQWBAIJUVXBNNEF-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.48
Rot. Bonds6

About 2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]-N,N-dimethylacetamide

2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]-N,N-dimethylacetamide (PubChem CID 59322105) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]-N,N-dimethylacetamide
PubChem CID59322105
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(OCC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H29NO3/c1-23(2)21(25)10-15-3-5-19(6-4-15)26-14-20(24)22-11-16-7-17(12-22)9-18(8-16)13-22/h3-6,16-18H,7-14H2,1-2H3
InChIKeyQWBAIJUVXBNNEF-UHFFFAOYSA-N
XLogP3.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]-N,N-dimethylacetamide (CID 59322105) is 2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccc(OCC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]-N,N-dimethylacetamide?
The InChIKey is QWBAIJUVXBNNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-23(2)21(25)10-15-3-5-19(6-4-15)26-14-20(24)22-11-16-7-17(12-22)9-18(8-16)13-22/h3-6,16-18H,7-14H2,1-2H3.
What are the key properties of 2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]-N,N-dimethylacetamide?
2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]-N,N-dimethylacetamide has a molecular weight of 355.48 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 59322105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).