3-amino-2-methoxy-N-(1-phenylethyl)propanamide

C12H18N2O2 — CID 106110983

IUPAC3-amino-2-methoxy-N-(1-phenylethyl)propanamide
SMILESCOC(CN)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-9(10-6-4-3-5-7-10)14-12(15)11(8-13)16-2/h3-7,9,11H,8,13H2,1-2H3,(H,14,15)
InChIKeyGJODBMQNQJUPFI-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.84
Rot. Bonds5

About 3-amino-2-methoxy-N-(1-phenylethyl)propanamide

3-amino-2-methoxy-N-(1-phenylethyl)propanamide (PubChem CID 106110983) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-(1-phenylethyl)propanamide
PubChem CID106110983
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-amino-2-methoxy-N-(1-phenylethyl)propanamide
SMILESCOC(CN)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-9(10-6-4-3-5-7-10)14-12(15)11(8-13)16-2/h3-7,9,11H,8,13H2,1-2H3,(H,14,15)
InChIKeyGJODBMQNQJUPFI-UHFFFAOYSA-N
XLogP0.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxypropanamide
CID 114145152
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
2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 102395814
3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxypropanamide
CID 106114237
3-amino-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 106112545
(2S)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10330656
(2R)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10375743
2-(aminomethyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 65228366
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
3-amino-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methoxypropanamide
CID 106113187
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
CID 11565272

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-amino-2-methoxy-N-(1-phenylethyl)propanamide (CID 106110983) is 3-amino-2-methoxy-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-(1-phenylethyl)propanamide is COC(CN)C(=O)NC(C)c1ccccc1.
What is the InChIKey of 3-amino-2-methoxy-N-(1-phenylethyl)propanamide?
The InChIKey is GJODBMQNQJUPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(10-6-4-3-5-7-10)14-12(15)11(8-13)16-2/h3-7,9,11H,8,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-2-methoxy-N-(1-phenylethyl)propanamide?
3-amino-2-methoxy-N-(1-phenylethyl)propanamide has a molecular weight of 222.29 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 106110983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).