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

Name: 3-methoxy-2-(1-phenylethylamino)propanamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₈N₂O₂ — CID 115774804

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	3-methoxy-2-(1-phenylethylamino)propanamide
PubChem CID	115774804
Molecular Formula	C₁₂H₁₈N₂O₂
Molecular Weight	222.29 g/mol
Exact Mass	222.14
IUPAC Name	3-methoxy-2-(1-phenylethylamino)propanamide
SMILES	COCC(NC(C)c1ccccc1)C(N)=O
InChI	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)
InChIKey	ADIRTGJGUJBHRW-UHFFFAOYSA-N
XLogP	0.84
TPSA	64.35 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	6
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	222.29
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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).

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Sources

PubChem CID 115774804 — identifiers, structure, computed properties (public domain)

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