3-methoxy-2-(1-phenylethylamino)propanamide

C12H18N2O2 — CID 115774804

IUPAC3-methoxy-2-(1-phenylethylamino)propanamide
SMILESCOCC(NC(C)c1ccccc1)C(N)=O
InChIInChI=1S/C12H18N2O2/c1-9(10-6-4-3-5-7-10)14-11(8-16-2)12(13)15/h3-7,9,11,14H,8H2,1-2H3,(H2,13,15)
InChIKeyADIRTGJGUJBHRW-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.84
Rot. Bonds6

About 3-methoxy-2-(1-phenylethylamino)propanamide

3-methoxy-2-(1-phenylethylamino)propanamide (PubChem CID 115774804) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-methoxy-2-(1-phenylethylamino)propanamide.

Molecular Properties

Compound Name3-methoxy-2-(1-phenylethylamino)propanamide
PubChem CID115774804
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-methoxy-2-(1-phenylethylamino)propanamide
SMILESCOCC(NC(C)c1ccccc1)C(N)=O
InChIInChI=1S/C12H18N2O2/c1-9(10-6-4-3-5-7-10)14-11(8-16-2)12(13)15/h3-7,9,11,14H,8H2,1-2H3,(H2,13,15)
InChIKeyADIRTGJGUJBHRW-UHFFFAOYSA-N
XLogP0.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

2-(1-phenylethylamino)butanamide
CID 62899453
2-[1-(furan-2-yl)ethylamino]-3-methoxypropanamide
CID 115929753
(2S)-5-amino-2-(1-phenylethylamino)pentanamide
CID 141009409
(2S)-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-phenylacetamide
CID 33406332
methane;(2R)-5,5,5-trifluoro-2-[[(1R)-1-phenylethyl]amino]pentanamide;5,5,5-trifluoro-2-[[(1R)-1-phenylethyl]amino]pentanamide;hydrochloride
CID 159943612
ethyl (2S)-2-[[(1S)-1-phenylethyl]amino]butanoate
CID 101344394
(2R)-2-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 33398197
3-hydroxy-2-(1-phenylethylamino)propanoic acid
CID 15922108
(2R)-3-fluoro-2-(1-phenylethylamino)propanoic acid
CID 71360379
methyl (2S)-3-methyl-2-(1-phenylethylamino)butanoate
CID 43386362
2-[(2-hydroxyphenyl)methylamino]-3-methoxypropanamide
CID 115774727
2-amino-N-(2-amino-2-oxo-1-phenylethyl)-3-methoxypropanamide;hydrochloride
CID 120984398

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(1-phenylethylamino)propanamide?
The IUPAC name of 3-methoxy-2-(1-phenylethylamino)propanamide (CID 115774804) is 3-methoxy-2-(1-phenylethylamino)propanamide.
What is the SMILES notation for 3-methoxy-2-(1-phenylethylamino)propanamide?
The canonical SMILES for 3-methoxy-2-(1-phenylethylamino)propanamide is COCC(NC(C)c1ccccc1)C(N)=O.
What is the InChIKey of 3-methoxy-2-(1-phenylethylamino)propanamide?
The InChIKey is ADIRTGJGUJBHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(10-6-4-3-5-7-10)14-11(8-16-2)12(13)15/h3-7,9,11,14H,8H2,1-2H3,(H2,13,15).
What are the key properties of 3-methoxy-2-(1-phenylethylamino)propanamide?
3-methoxy-2-(1-phenylethylamino)propanamide has a molecular weight of 222.29 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(1-phenylethylamino)propanamide is sourced from PubChem (CID 115774804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).