N-(1-methoxypropan-2-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide

C15H21NO4 — CID 115495334

IUPACN-(1-methoxypropan-2-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide
SMILESCOCC(C)NC(=O)COc1ccc(CC(C)=O)cc1
InChIInChI=1S/C15H21NO4/c1-11(9-19-3)16-15(18)10-20-14-6-4-13(5-7-14)8-12(2)17/h4-7,11H,8-10H2,1-3H3,(H,16,18)
InChIKeyRGFWPYYCSWZGBH-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.35
Rot. Bonds8

About N-(1-methoxypropan-2-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide

N-(1-methoxypropan-2-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide (PubChem CID 115495334) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide
PubChem CID115495334
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-(1-methoxypropan-2-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide
SMILESCOCC(C)NC(=O)COc1ccc(CC(C)=O)cc1
InChIInChI=1S/C15H21NO4/c1-11(9-19-3)16-15(18)10-20-14-6-4-13(5-7-14)8-12(2)17/h4-7,11H,8-10H2,1-3H3,(H,16,18)
InChIKeyRGFWPYYCSWZGBH-UHFFFAOYSA-N
XLogP1.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 51140295
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7028135
methyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate
CID 51139849
N-(1-methoxypropan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 84603980
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7795155
N-(2-methylpropyl)-2-[4-(2-oxopropyl)phenoxy]acetamide
CID 113323047
N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 43888448
2-(3-methoxyphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 78760764
2-[4-(aminomethyl)-3-chlorophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 102723824
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 92680005
2-(4-ethylphenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 100589508
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 30130019

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide (CID 115495334) is N-(1-methoxypropan-2-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide is COCC(C)NC(=O)COc1ccc(CC(C)=O)cc1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide?
The InChIKey is RGFWPYYCSWZGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11(9-19-3)16-15(18)10-20-14-6-4-13(5-7-14)8-12(2)17/h4-7,11H,8-10H2,1-3H3,(H,16,18).
What are the key properties of N-(1-methoxypropan-2-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide?
N-(1-methoxypropan-2-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide has a molecular weight of 279.34 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide is sourced from PubChem (CID 115495334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).