N-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide

C16H25NO2 — CID 115612574

IUPACN-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide
SMILESCCC(CC)CNC(=O)CCOc1ccc(C)cc1
InChIInChI=1S/C16H25NO2/c1-4-14(5-2)12-17-16(18)10-11-19-15-8-6-13(3)7-9-15/h6-9,14H,4-5,10-12H2,1-3H3,(H,17,18)
InChIKeyLWGSMLFVJHPURB-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.32
Rot. Bonds8

About N-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide

N-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide (PubChem CID 115612574) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide
PubChem CID115612574
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide
SMILESCCC(CC)CNC(=O)CCOc1ccc(C)cc1
InChIInChI=1S/C16H25NO2/c1-4-14(5-2)12-17-16(18)10-11-19-15-8-6-13(3)7-9-15/h6-9,14H,4-5,10-12H2,1-3H3,(H,17,18)
InChIKeyLWGSMLFVJHPURB-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(4-methylphenoxy)propanoylamino]methyl]pentanoic acid
CID 65223505
3-methoxy-4-[3-(4-methylphenoxy)propanoylamino]butanoic acid
CID 103153206
N-(2-ethylbutyl)-3-(2-methylphenoxy)propanamide
CID 115612578
3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide
CID 115612621
3-[[[2-(4-methylphenoxy)acetyl]amino]methyl]pentanoic acid
CID 81065403
N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide
CID 9295558
3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 9163163
N-(4-chloro-2-ethylbutyl)-3-(3-methylphenoxy)propanamide
CID 114306528
2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid
CID 43387562
3-(4-aminophenoxy)-N-(2-hydroxybutyl)propanamide
CID 113491836
N-methoxy-3-(4-methylphenoxy)propanamide
CID 60716976
methyl 2-hydroxy-3-[4-(4-methylphenoxy)butanoylamino]propanoate
CID 103957800

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide?
The IUPAC name of N-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide (CID 115612574) is N-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide?
The canonical SMILES for N-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide is CCC(CC)CNC(=O)CCOc1ccc(C)cc1.
What is the InChIKey of N-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide?
The InChIKey is LWGSMLFVJHPURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-14(5-2)12-17-16(18)10-11-19-15-8-6-13(3)7-9-15/h6-9,14H,4-5,10-12H2,1-3H3,(H,17,18).
What are the key properties of N-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide?
N-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide has a molecular weight of 263.38 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide is sourced from PubChem (CID 115612574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).