2-(1-adamantyl)-N-(3-ethylphenyl)acetamide

C20H27NO — CID 7935228

IUPAC2-(1-adamantyl)-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C20H27NO/c1-2-14-4-3-5-18(9-14)21-19(22)13-20-10-15-6-16(11-20)8-17(7-15)12-20/h3-5,9,15-17H,2,6-8,10-13H2,1H3,(H,21,22)
InChIKeyDIWWEEFUESPILB-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.79
Rot. Bonds4

About 2-(1-adamantyl)-N-(3-ethylphenyl)acetamide

2-(1-adamantyl)-N-(3-ethylphenyl)acetamide (PubChem CID 7935228) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(3-ethylphenyl)acetamide
PubChem CID7935228
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name2-(1-adamantyl)-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C20H27NO/c1-2-14-4-3-5-18(9-14)21-19(22)13-20-10-15-6-16(11-20)8-17(7-15)12-20/h3-5,9,15-17H,2,6-8,10-13H2,1H3,(H,21,22)
InChIKeyDIWWEEFUESPILB-UHFFFAOYSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-adamantyl)-N-(3-methylsulfanylphenyl)acetamide
CID 7734007
2-(1-adamantyl)-N-(3-methylsulfonylphenyl)acetamide
CID 17486752
N-[[3-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2-cyanoacetamide
CID 108923902
N-[4-(3-ethylanilino)-4-oxobutyl]adamantane-1-carboxamide
CID 9397326
[3-[[3-[[2-(1-adamantyl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108928998
2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide
CID 139249629
2-(1-adamantyl)-N-pyridin-4-ylacetamide
CID 2971527
2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588
N-[3-(1-adamantylmethyl)phenyl]adamantane-1-carboxamide
CID 171577019
2-(1-adamantyl)-N-[2-(3-bromoanilino)-2-oxoethyl]acetamide
CID 9341253
N-[3-[[2-(1-adamantyl)acetyl]amino]-4-chlorophenyl]propanamide
CID 3357853
2-(1-adamantyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4810691

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(3-ethylphenyl)acetamide (CID 7935228) is 2-(1-adamantyl)-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 2-(1-adamantyl)-N-(3-ethylphenyl)acetamide?
The InChIKey is DIWWEEFUESPILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-2-14-4-3-5-18(9-14)21-19(22)13-20-10-15-6-16(11-20)8-17(7-15)12-20/h3-5,9,15-17H,2,6-8,10-13H2,1H3,(H,21,22).
What are the key properties of 2-(1-adamantyl)-N-(3-ethylphenyl)acetamide?
2-(1-adamantyl)-N-(3-ethylphenyl)acetamide has a molecular weight of 297.44 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 7935228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).