N-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide

C17H25NO3 — CID 115495359

IUPACN-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
SMILESCC(=O)Cc1ccc(OC(C)C(=O)NCCC(C)C)cc1
InChIInChI=1S/C17H25NO3/c1-12(2)9-10-18-17(20)14(4)21-16-7-5-15(6-8-16)11-13(3)19/h5-8,12,14H,9-11H2,1-4H3,(H,18,20)
InChIKeyARZAGLRFJGLBIS-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.75
Rot. Bonds8

About N-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide

N-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide (PubChem CID 115495359) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
PubChem CID115495359
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
SMILESCC(=O)Cc1ccc(OC(C)C(=O)NCCC(C)C)cc1
InChIInChI=1S/C17H25NO3/c1-12(2)9-10-18-17(20)14(4)21-16-7-5-15(6-8-16)11-13(3)19/h5-8,12,14H,9-11H2,1-4H3,(H,18,20)
InChIKeyARZAGLRFJGLBIS-UHFFFAOYSA-N
XLogP2.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
N-(ethylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
CID 115495454
N-(methylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
CID 115495453
2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235714
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108572718
2-fluoro-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107675560
2-[4-(aminomethyl)phenoxy]-N-propylpropanamide
CID 43115802
2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 43116981
2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide
CID 107396677
2-methyl-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107671321
N-butyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide
CID 43504088

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide?
The IUPAC name of N-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide (CID 115495359) is N-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide?
The canonical SMILES for N-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide is CC(=O)Cc1ccc(OC(C)C(=O)NCCC(C)C)cc1.
What is the InChIKey of N-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide?
The InChIKey is ARZAGLRFJGLBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12(2)9-10-18-17(20)14(4)21-16-7-5-15(6-8-16)11-13(3)19/h5-8,12,14H,9-11H2,1-4H3,(H,18,20).
What are the key properties of N-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide?
N-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide has a molecular weight of 291.39 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide is sourced from PubChem (CID 115495359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).