2-(2-phenylmethoxyethyl)propanediamide

C12H16N2O3 — CID 15186005

IUPAC2-(2-phenylmethoxyethyl)propanediamide
SMILESNC(=O)C(CCOCc1ccccc1)C(N)=O
InChIInChI=1S/C12H16N2O3/c13-11(15)10(12(14)16)6-7-17-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,13,15)(H2,14,16)
InChIKeyHKFWGQFCSDHDCA-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.18
Rot. Bonds7

About 2-(2-phenylmethoxyethyl)propanediamide

2-(2-phenylmethoxyethyl)propanediamide (PubChem CID 15186005) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(2-phenylmethoxyethyl)propanediamide.

Molecular Properties

Compound Name2-(2-phenylmethoxyethyl)propanediamide
PubChem CID15186005
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(2-phenylmethoxyethyl)propanediamide
SMILESNC(=O)C(CCOCc1ccccc1)C(N)=O
InChIInChI=1S/C12H16N2O3/c13-11(15)10(12(14)16)6-7-17-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,13,15)(H2,14,16)
InChIKeyHKFWGQFCSDHDCA-UHFFFAOYSA-N
XLogP0.18
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxyethyl)propanediamide?
The IUPAC name of 2-(2-phenylmethoxyethyl)propanediamide (CID 15186005) is 2-(2-phenylmethoxyethyl)propanediamide.
What is the SMILES notation for 2-(2-phenylmethoxyethyl)propanediamide?
The canonical SMILES for 2-(2-phenylmethoxyethyl)propanediamide is NC(=O)C(CCOCc1ccccc1)C(N)=O.
What is the InChIKey of 2-(2-phenylmethoxyethyl)propanediamide?
The InChIKey is HKFWGQFCSDHDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c13-11(15)10(12(14)16)6-7-17-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,13,15)(H2,14,16).
What are the key properties of 2-(2-phenylmethoxyethyl)propanediamide?
2-(2-phenylmethoxyethyl)propanediamide has a molecular weight of 236.27 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxyethyl)propanediamide is sourced from PubChem (CID 15186005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).