N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-propan-2-ylphenoxy)acetamide

C17H25NO3 — CID 90499307

IUPACN-(2-cyclopropyl-2-hydroxypropyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NCC(C)(O)C2CC2)cc1
InChIInChI=1S/C17H25NO3/c1-12(2)13-4-8-15(9-5-13)21-10-16(19)18-11-17(3,20)14-6-7-14/h4-5,8-9,12,14,20H,6-7,10-11H2,1-3H3,(H,18,19)
InChIKeyYFFGNEVYHAXPAF-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.47
Rot. Bonds7

About N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-propan-2-ylphenoxy)acetamide

N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 90499307) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID90499307
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NCC(C)(O)C2CC2)cc1
InChIInChI=1S/C17H25NO3/c1-12(2)13-4-8-15(9-5-13)21-10-16(19)18-11-17(3,20)14-6-7-14/h4-5,8-9,12,14,20H,6-7,10-11H2,1-3H3,(H,18,19)
InChIKeyYFFGNEVYHAXPAF-UHFFFAOYSA-N
XLogP2.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-ethoxyphenoxy)acetamide
CID 90499308
2-hydroxy-2-methyl-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]propanoic acid
CID 66172185
2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 39951739
N-(2,3-dimethoxy-2-methylpropyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 122243927
2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9157069
2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 27870934
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 52907058
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110229
N-(cyclohexylcarbamoyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 7707104

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-propan-2-ylphenoxy)acetamide (CID 90499307) is N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)NCC(C)(O)C2CC2)cc1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is YFFGNEVYHAXPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12(2)13-4-8-15(9-5-13)21-10-16(19)18-11-17(3,20)14-6-7-14/h4-5,8-9,12,14,20H,6-7,10-11H2,1-3H3,(H,18,19).
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 291.39 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 90499307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).