N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide

C21H25NO3 — CID 90499051

IUPACN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NCC2(O)CCc3ccccc32)cc1
InChIInChI=1S/C21H25NO3/c1-15(2)16-7-9-18(10-8-16)25-13-20(23)22-14-21(24)12-11-17-5-3-4-6-19(17)21/h3-10,15,24H,11-14H2,1-2H3,(H,22,23)
InChIKeyXXWAMJGOIMFFBS-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.14
Rot. Bonds6

About N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 90499051) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID90499051
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NCC2(O)CCc3ccccc32)cc1
InChIInChI=1S/C21H25NO3/c1-15(2)16-7-9-18(10-8-16)25-13-20(23)22-14-21(24)12-11-17-5-3-4-6-19(17)21/h3-10,15,24H,11-14H2,1-2H3,(H,22,23)
InChIKeyXXWAMJGOIMFFBS-UHFFFAOYSA-N
XLogP3.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 95983104
2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9157069
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 42885170
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-phenylbutanamide
CID 90499010
1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65453669
2-(4-fluorophenoxy)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]acetamide
CID 90581093
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 39951739
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108541576
2-(4-propan-2-ylphenoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 1122227

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide (CID 90499051) is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)NCC2(O)CCc3ccccc32)cc1.
What is the InChIKey of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is XXWAMJGOIMFFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-15(2)16-7-9-18(10-8-16)25-13-20(23)22-14-21(24)12-11-17-5-3-4-6-19(17)21/h3-10,15,24H,11-14H2,1-2H3,(H,22,23).
What are the key properties of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 339.44 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 90499051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).