2-(4-propan-2-ylphenoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

C21H25NO2 — CID 1122227

IUPAC2-(4-propan-2-ylphenoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2cccc3c2CCCC3)cc1
InChIInChI=1S/C21H25NO2/c1-15(2)16-10-12-18(13-11-16)24-14-21(23)22-20-9-5-7-17-6-3-4-8-19(17)20/h5,7,9-13,15H,3-4,6,8,14H2,1-2H3,(H,22,23)
InChIKeyPOSHBEZYLLYQQX-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.71
Rot. Bonds5

About 2-(4-propan-2-ylphenoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

2-(4-propan-2-ylphenoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 1122227) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-propan-2-ylphenoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
PubChem CID1122227
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name2-(4-propan-2-ylphenoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2cccc3c2CCCC3)cc1
InChIInChI=1S/C21H25NO2/c1-15(2)16-10-12-18(13-11-16)24-14-21(23)22-20-9-5-7-17-6-3-4-8-19(17)20/h5,7,9-13,15H,3-4,6,8,14H2,1-2H3,(H,22,23)
InChIKeyPOSHBEZYLLYQQX-UHFFFAOYSA-N
XLogP4.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 17386781
N-(2,3-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1226590
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 723516
N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 17170147
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 4552497
N-propan-2-yl-2-[[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetyl]amino]benzamide
CID 100502815
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
N-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100747328
N-(2-carbamothioylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 39158645
methyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1051175
ethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682452

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(4-propan-2-ylphenoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide (CID 1122227) is 2-(4-propan-2-ylphenoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(4-propan-2-ylphenoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(4-propan-2-ylphenoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide is CC(C)c1ccc(OCC(=O)Nc2cccc3c2CCCC3)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is POSHBEZYLLYQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-15(2)16-10-12-18(13-11-16)24-14-21(23)22-20-9-5-7-17-6-3-4-8-19(17)20/h5,7,9-13,15H,3-4,6,8,14H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-propan-2-ylphenoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
2-(4-propan-2-ylphenoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 323.44 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 1122227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).