2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide

C15H23NO3 — CID 21173373

IUPAC2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
SMILESCOc1ccc(OC(C)C(=O)NCCC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)9-10-16-15(17)12(3)19-14-7-5-13(18-4)6-8-14/h5-8,11-12H,9-10H2,1-4H3,(H,16,17)
InChIKeyVMGINXDAXDPLQZ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.62
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide

2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide (PubChem CID 21173373) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
PubChem CID21173373
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
SMILESCOc1ccc(OC(C)C(=O)NCCC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)9-10-16-15(17)12(3)19-14-7-5-13(18-4)6-8-14/h5-8,11-12H,9-10H2,1-4H3,(H,16,17)
InChIKeyVMGINXDAXDPLQZ-UHFFFAOYSA-N
XLogP2.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 21367307
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]propanoic acid
CID 93306205
N-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
CID 115495359
2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide
CID 61267766
2-(4-methoxyphenoxy)-N-(2-methylpropoxy)propanamide
CID 115409892
2-(2-formyl-5-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 61267937
2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide
CID 110316942
methyl 6-[2-(4-methoxyphenoxy)propanoylamino]hexanoate
CID 46481594
2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 132760074
N-[2-(4-methoxyphenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 24511975

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide (CID 21173373) is 2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide is COc1ccc(OC(C)C(=O)NCCC(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide?
The InChIKey is VMGINXDAXDPLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)9-10-16-15(17)12(3)19-14-7-5-13(18-4)6-8-14/h5-8,11-12H,9-10H2,1-4H3,(H,16,17).
What are the key properties of 2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide?
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide has a molecular weight of 265.35 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 21173373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).