3-methoxy-2-(2-methylphenoxy)-N-propan-2-ylpropanamide

C14H21NO3 — CID 170233357

IUPAC3-methoxy-2-(2-methylphenoxy)-N-propan-2-ylpropanamide
SMILESCOCC(Oc1ccccc1C)C(=O)NC(C)C
InChIInChI=1S/C14H21NO3/c1-10(2)15-14(16)13(9-17-4)18-12-8-6-5-7-11(12)3/h5-8,10,13H,9H2,1-4H3,(H,15,16)
InChIKeyPUNWHQNRGMXXLO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.91
Rot. Bonds6

About 3-methoxy-2-(2-methylphenoxy)-N-propan-2-ylpropanamide

3-methoxy-2-(2-methylphenoxy)-N-propan-2-ylpropanamide (PubChem CID 170233357) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-methoxy-2-(2-methylphenoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-methoxy-2-(2-methylphenoxy)-N-propan-2-ylpropanamide
PubChem CID170233357
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-methoxy-2-(2-methylphenoxy)-N-propan-2-ylpropanamide
SMILESCOCC(Oc1ccccc1C)C(=O)NC(C)C
InChIInChI=1S/C14H21NO3/c1-10(2)15-14(16)13(9-17-4)18-12-8-6-5-7-11(12)3/h5-8,10,13H,9H2,1-4H3,(H,15,16)
InChIKeyPUNWHQNRGMXXLO-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]butanamide
CID 132652224
2-(2-methylphenoxy)-3-(propan-2-ylamino)propanoic acid
CID 112518216
(2R)-2-(2-methylphenoxy)-N-[(2S)-4-phenylbutan-2-yl]butanamide
CID 28572865
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide
CID 17328056
2-(2-bromophenoxy)-3-methoxypropanehydrazide
CID 103229243
2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide
CID 53289143
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
CID 92682866
N-[1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
CID 17327347
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methylphenoxy)butanamide
CID 110001590

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-methylphenoxy)-N-propan-2-ylpropanamide?
The IUPAC name of 3-methoxy-2-(2-methylphenoxy)-N-propan-2-ylpropanamide (CID 170233357) is 3-methoxy-2-(2-methylphenoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-methoxy-2-(2-methylphenoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-methoxy-2-(2-methylphenoxy)-N-propan-2-ylpropanamide is COCC(Oc1ccccc1C)C(=O)NC(C)C.
What is the InChIKey of 3-methoxy-2-(2-methylphenoxy)-N-propan-2-ylpropanamide?
The InChIKey is PUNWHQNRGMXXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(2)15-14(16)13(9-17-4)18-12-8-6-5-7-11(12)3/h5-8,10,13H,9H2,1-4H3,(H,15,16).
What are the key properties of 3-methoxy-2-(2-methylphenoxy)-N-propan-2-ylpropanamide?
3-methoxy-2-(2-methylphenoxy)-N-propan-2-ylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-methylphenoxy)-N-propan-2-ylpropanamide is sourced from PubChem (CID 170233357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).