N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-ethoxyphenoxy)acetamide

C16H23NO4 — CID 90499308

IUPACN-(2-cyclopropyl-2-hydroxypropyl)-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)NCC(C)(O)C2CC2)cc1
InChIInChI=1S/C16H23NO4/c1-3-20-13-6-8-14(9-7-13)21-10-15(18)17-11-16(2,19)12-4-5-12/h6-9,12,19H,3-5,10-11H2,1-2H3,(H,17,18)
InChIKeyZUBPJWVMIWRNLT-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.74
Rot. Bonds8

About N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-ethoxyphenoxy)acetamide

N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-ethoxyphenoxy)acetamide (PubChem CID 90499308) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)-2-(4-ethoxyphenoxy)acetamide
PubChem CID90499308
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)NCC(C)(O)C2CC2)cc1
InChIInChI=1S/C16H23NO4/c1-3-20-13-6-8-14(9-7-13)21-10-15(18)17-11-16(2,19)12-4-5-12/h6-9,12,19H,3-5,10-11H2,1-2H3,(H,17,18)
InChIKeyZUBPJWVMIWRNLT-UHFFFAOYSA-N
XLogP1.74
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 90499307
N-(2,3-dihydroxy-2-methylpropyl)-2-(4-ethoxyphenoxy)acetamide
CID 66170410
1-(2-cyclopropyl-2-hydroxypropyl)-3-(4-ethoxyphenyl)urea
CID 52992812
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-ethoxyphenoxy)acetamide
CID 90497058
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-ethoxyphenoxy)acetamide
CID 134008150
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 52907058
2-(4-ethoxyphenoxy)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 90498249
3-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700980
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110229
N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide
CID 65114465
N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide
CID 66169825
1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(2-phenoxyethyl)urea
CID 95986154

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-ethoxyphenoxy)acetamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-ethoxyphenoxy)acetamide (CID 90499308) is N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-ethoxyphenoxy)acetamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-ethoxyphenoxy)acetamide is CCOc1ccc(OCC(=O)NCC(C)(O)C2CC2)cc1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-ethoxyphenoxy)acetamide?
The InChIKey is ZUBPJWVMIWRNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-20-13-6-8-14(9-7-13)21-10-15(18)17-11-16(2,19)12-4-5-12/h6-9,12,19H,3-5,10-11H2,1-2H3,(H,17,18).
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-ethoxyphenoxy)acetamide?
N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-ethoxyphenoxy)acetamide has a molecular weight of 293.36 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-ethoxyphenoxy)acetamide is sourced from PubChem (CID 90499308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).