3-amino-N-[1-(2,5-dimethylphenyl)ethyl]-2-methoxypropanamide

C14H22N2O2 — CID 106111769

IUPAC3-amino-N-[1-(2,5-dimethylphenyl)ethyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)NC(C)c1cc(C)ccc1C
InChIInChI=1S/C14H22N2O2/c1-9-5-6-10(2)12(7-9)11(3)16-14(17)13(8-15)18-4/h5-7,11,13H,8,15H2,1-4H3,(H,16,17)
InChIKeyVTPYIIRIIMMFFL-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.45
Rot. Bonds5

About 3-amino-N-[1-(2,5-dimethylphenyl)ethyl]-2-methoxypropanamide

3-amino-N-[1-(2,5-dimethylphenyl)ethyl]-2-methoxypropanamide (PubChem CID 106111769) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-[1-(2,5-dimethylphenyl)ethyl]-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(2,5-dimethylphenyl)ethyl]-2-methoxypropanamide
PubChem CID106111769
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-[1-(2,5-dimethylphenyl)ethyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)NC(C)c1cc(C)ccc1C
InChIInChI=1S/C14H22N2O2/c1-9-5-6-10(2)12(7-9)11(3)16-14(17)13(8-15)18-4/h5-7,11,13H,8,15H2,1-4H3,(H,16,17)
InChIKeyVTPYIIRIIMMFFL-UHFFFAOYSA-N
XLogP1.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 106111523
3-amino-2-methoxy-N-[1-(4-methylphenyl)ethyl]propanamide
CID 106111839
3-amino-2-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide
CID 106113248
3-amino-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methoxypropanamide
CID 106113187
(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-phenoxybutanamide
CID 26171764
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 38016327
2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-5-methoxypentanamide
CID 81083466
(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 28631604
N-[1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
CID 17327347
3-amino-2-methoxy-N-(1-phenylethyl)propanamide
CID 106110983
4-amino-5-[1-(2,5-dimethylphenyl)ethylamino]-5-oxopentanoic acid
CID 64887951
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxypropanamide
CID 114145152

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,5-dimethylphenyl)ethyl]-2-methoxypropanamide?
The IUPAC name of 3-amino-N-[1-(2,5-dimethylphenyl)ethyl]-2-methoxypropanamide (CID 106111769) is 3-amino-N-[1-(2,5-dimethylphenyl)ethyl]-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-[1-(2,5-dimethylphenyl)ethyl]-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-[1-(2,5-dimethylphenyl)ethyl]-2-methoxypropanamide is COC(CN)C(=O)NC(C)c1cc(C)ccc1C.
What is the InChIKey of 3-amino-N-[1-(2,5-dimethylphenyl)ethyl]-2-methoxypropanamide?
The InChIKey is VTPYIIRIIMMFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-5-6-10(2)12(7-9)11(3)16-14(17)13(8-15)18-4/h5-7,11,13H,8,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-N-[1-(2,5-dimethylphenyl)ethyl]-2-methoxypropanamide?
3-amino-N-[1-(2,5-dimethylphenyl)ethyl]-2-methoxypropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,5-dimethylphenyl)ethyl]-2-methoxypropanamide is sourced from PubChem (CID 106111769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).