2-(3-methylphenoxy)-N-(2-methylpropoxy)propanamide

C14H21NO3 — CID 115410151

IUPAC2-(3-methylphenoxy)-N-(2-methylpropoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NOCC(C)C)c1
InChIInChI=1S/C14H21NO3/c1-10(2)9-17-15-14(16)12(4)18-13-7-5-6-11(3)8-13/h5-8,10,12H,9H2,1-4H3,(H,15,16)
InChIKeyVYTKWQVLGKTLBY-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.47
Rot. Bonds6

About 2-(3-methylphenoxy)-N-(2-methylpropoxy)propanamide

2-(3-methylphenoxy)-N-(2-methylpropoxy)propanamide (PubChem CID 115410151) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(2-methylpropoxy)propanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(2-methylpropoxy)propanamide
PubChem CID115410151
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(3-methylphenoxy)-N-(2-methylpropoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NOCC(C)C)c1
InChIInChI=1S/C14H21NO3/c1-10(2)9-17-15-14(16)12(4)18-13-7-5-6-11(3)8-13/h5-8,10,12H,9H2,1-4H3,(H,15,16)
InChIKeyVYTKWQVLGKTLBY-UHFFFAOYSA-N
XLogP2.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropoxy)-2-phenoxypropanamide
CID 113304383
N-(2-amino-2-oxoethoxy)-2-(3-methylphenoxy)propanamide
CID 112550466
2-(3-methylphenoxy)propanehydrazide
CID 3021693
2-(4-methoxyphenoxy)-N-(2-methylpropoxy)propanamide
CID 115409892
N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide
CID 119625770
(2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide
CID 124561386
N-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide
CID 65315418
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
1-amino-3-(3-methylphenoxy)butan-2-one
CID 82401994
(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2168120

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(2-methylpropoxy)propanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(2-methylpropoxy)propanamide (CID 115410151) is 2-(3-methylphenoxy)-N-(2-methylpropoxy)propanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(2-methylpropoxy)propanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(2-methylpropoxy)propanamide is Cc1cccc(OC(C)C(=O)NOCC(C)C)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(2-methylpropoxy)propanamide?
The InChIKey is VYTKWQVLGKTLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(2)9-17-15-14(16)12(4)18-13-7-5-6-11(3)8-13/h5-8,10,12H,9H2,1-4H3,(H,15,16).
What are the key properties of 2-(3-methylphenoxy)-N-(2-methylpropoxy)propanamide?
2-(3-methylphenoxy)-N-(2-methylpropoxy)propanamide has a molecular weight of 251.33 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(2-methylpropoxy)propanamide is sourced from PubChem (CID 115410151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).