2-(3-methyl-4-propan-2-ylphenoxy)propanamide

C13H19NO2 — CID 47095242

IUPAC2-(3-methyl-4-propan-2-ylphenoxy)propanamide
SMILESCc1cc(OC(C)C(N)=O)ccc1C(C)C
InChIInChI=1S/C13H19NO2/c1-8(2)12-6-5-11(7-9(12)3)16-10(4)13(14)15/h5-8,10H,1-4H3,(H2,14,15)
InChIKeyFEBVXDZLXBDOEU-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.37
Rot. Bonds4

About 2-(3-methyl-4-propan-2-ylphenoxy)propanamide

2-(3-methyl-4-propan-2-ylphenoxy)propanamide (PubChem CID 47095242) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylphenoxy)propanamide
PubChem CID47095242
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(3-methyl-4-propan-2-ylphenoxy)propanamide
SMILESCc1cc(OC(C)C(N)=O)ccc1C(C)C
InChIInChI=1S/C13H19NO2/c1-8(2)12-6-5-11(7-9(12)3)16-10(4)13(14)15/h5-8,10H,1-4H3,(H2,14,15)
InChIKeyFEBVXDZLXBDOEU-UHFFFAOYSA-N
XLogP2.37
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-methylphenoxy)propanamide
CID 81302434
2-(3-methyl-4-sulfamoylphenoxy)propanamide
CID 82915497
N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 119385381
(3-methyl-4-propan-2-ylphenyl) N-aminocarbamate
CID 112709148
2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 47095241
N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119504142
(2R)-2-(4-hydroxyphenoxy)propanamide
CID 67641252
2-amino-2-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pentanamide
CID 64706427
(2R)-2-(4-bromophenoxy)propanamide
CID 974910
N-[3-(3-methyl-4-propan-2-ylphenoxy)propoxy]acetamide
CID 11821525
2-(3-methyl-4-propan-2-ylphenoxy)butanoic acid
CID 43808807
(2R)-1-[(3S)-3-aminopyrrolidin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one
CID 124588806

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
The IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)propanamide (CID 47095242) is 2-(3-methyl-4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylphenoxy)propanamide is Cc1cc(OC(C)C(N)=O)ccc1C(C)C.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
The InChIKey is FEBVXDZLXBDOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8(2)12-6-5-11(7-9(12)3)16-10(4)13(14)15/h5-8,10H,1-4H3,(H2,14,15).
What are the key properties of 2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
2-(3-methyl-4-propan-2-ylphenoxy)propanamide has a molecular weight of 221.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 47095242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).