N-(2-methylpropyl)-2-[4-(2-oxopropyl)phenoxy]acetamide

C15H21NO3 — CID 113323047

IUPACN-(2-methylpropyl)-2-[4-(2-oxopropyl)phenoxy]acetamide
SMILESCC(=O)Cc1ccc(OCC(=O)NCC(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-11(2)9-16-15(18)10-19-14-6-4-13(5-7-14)8-12(3)17/h4-7,11H,8-10H2,1-3H3,(H,16,18)
InChIKeyUVDFMMPXKDTRPY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.97
Rot. Bonds7

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

N-(2-methylpropyl)-2-[4-(2-oxopropyl)phenoxy]acetamide (PubChem CID 113323047) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[4-(2-oxopropyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[4-(2-oxopropyl)phenoxy]acetamide
PubChem CID113323047
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(2-methylpropyl)-2-[4-(2-oxopropyl)phenoxy]acetamide
SMILESCC(=O)Cc1ccc(OCC(=O)NCC(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-11(2)9-16-15(18)10-19-14-6-4-13(5-7-14)8-12(3)17/h4-7,11H,8-10H2,1-3H3,(H,16,18)
InChIKeyUVDFMMPXKDTRPY-UHFFFAOYSA-N
XLogP1.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenoxy)-N-(2-methylpropyl)acetamide
CID 1120997
2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23405136
2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16773407
2-[4-(3-aminobutyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16783381
2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16794372
2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23732384
N-(1-methoxypropan-2-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide
CID 115495334
N-[(2R)-2-hydroxypropyl]-2-(4-methoxyphenoxy)acetamide
CID 83032439
N-(2-methylpropyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19170892
N-(3-amino-2-methylpropyl)-2-(4-ethylphenoxy)acetamide
CID 119996402
2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 3989542
N-(oxan-4-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide
CID 115495370

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[4-(2-oxopropyl)phenoxy]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[4-(2-oxopropyl)phenoxy]acetamide (CID 113323047) is N-(2-methylpropyl)-2-[4-(2-oxopropyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[4-(2-oxopropyl)phenoxy]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[4-(2-oxopropyl)phenoxy]acetamide is CC(=O)Cc1ccc(OCC(=O)NCC(C)C)cc1.
What is the InChIKey of N-(2-methylpropyl)-2-[4-(2-oxopropyl)phenoxy]acetamide?
The InChIKey is UVDFMMPXKDTRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(2)9-16-15(18)10-19-14-6-4-13(5-7-14)8-12(3)17/h4-7,11H,8-10H2,1-3H3,(H,16,18).
What are the key properties of N-(2-methylpropyl)-2-[4-(2-oxopropyl)phenoxy]acetamide?
N-(2-methylpropyl)-2-[4-(2-oxopropyl)phenoxy]acetamide has a molecular weight of 263.34 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[4-(2-oxopropyl)phenoxy]acetamide is sourced from PubChem (CID 113323047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).