N-(oxan-4-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide

C16H21NO4 — CID 115495370

IUPACN-(oxan-4-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide
SMILESCC(=O)Cc1ccc(OCC(=O)NC2CCOCC2)cc1
InChIInChI=1S/C16H21NO4/c1-12(18)10-13-2-4-15(5-3-13)21-11-16(19)17-14-6-8-20-9-7-14/h2-5,14H,6-11H2,1H3,(H,17,19)
InChIKeyIBTBCICDNGWFSG-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.49
Rot. Bonds6

About N-(oxan-4-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide

N-(oxan-4-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide (PubChem CID 115495370) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide
PubChem CID115495370
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC NameN-(oxan-4-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide
SMILESCC(=O)Cc1ccc(OCC(=O)NC2CCOCC2)cc1
InChIInChI=1S/C16H21NO4/c1-12(18)10-13-2-4-15(5-3-13)21-11-16(19)17-14-6-8-20-9-7-14/h2-5,14H,6-11H2,1H3,(H,17,19)
InChIKeyIBTBCICDNGWFSG-UHFFFAOYSA-N
XLogP1.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxyphenoxy)-N-(oxan-4-yl)acetamide
CID 55182267
N-(oxan-4-yl)-2-phenoxyacetamide
CID 61062946
2-(4-methylphenyl)-N-(oxan-4-yl)acetamide
CID 110726863
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(oxan-4-yl)acetamide
CID 43610524
2-(4-bromo-3-methylphenoxy)-N-(oxan-4-yl)acetamide
CID 81301243
1-[4-(oxolan-3-ylmethoxy)phenyl]propan-2-one
CID 115495368
N-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561633
[2-(oxan-4-ylamino)-2-oxoethyl] 2-(4-aminophenyl)acetate
CID 63098891
2-[3-(ethylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide
CID 63098119
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(oxan-4-yl)acetamide
CID 103566005
N-(2-methylpropyl)-2-[4-(2-oxopropyl)phenoxy]acetamide
CID 113323047
2-(4-acetylphenoxy)-N-cyclohexylacetamide
CID 2621514

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide?
The IUPAC name of N-(oxan-4-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide (CID 115495370) is N-(oxan-4-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide is CC(=O)Cc1ccc(OCC(=O)NC2CCOCC2)cc1.
What is the InChIKey of N-(oxan-4-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide?
The InChIKey is IBTBCICDNGWFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-12(18)10-13-2-4-15(5-3-13)21-11-16(19)17-14-6-8-20-9-7-14/h2-5,14H,6-11H2,1H3,(H,17,19).
What are the key properties of N-(oxan-4-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide?
N-(oxan-4-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide has a molecular weight of 291.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide is sourced from PubChem (CID 115495370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).