2-(2-aminoethyl)-2-(2-phenylmethoxyethyl)propanediamide

C14H21N3O3 — CID 66835620

IUPAC2-(2-aminoethyl)-2-(2-phenylmethoxyethyl)propanediamide
SMILESNCCC(CCOCc1ccccc1)(C(N)=O)C(N)=O
InChIInChI=1S/C14H21N3O3/c15-8-6-14(12(16)18,13(17)19)7-9-20-10-11-4-2-1-3-5-11/h1-5H,6-10,15H2,(H2,16,18)(H2,17,19)
InChIKeyXSOYUGCPWPAVDI-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.10
Rot. Bonds9

About 2-(2-aminoethyl)-2-(2-phenylmethoxyethyl)propanediamide

2-(2-aminoethyl)-2-(2-phenylmethoxyethyl)propanediamide (PubChem CID 66835620) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2-aminoethyl)-2-(2-phenylmethoxyethyl)propanediamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-2-(2-phenylmethoxyethyl)propanediamide
PubChem CID66835620
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(2-aminoethyl)-2-(2-phenylmethoxyethyl)propanediamide
SMILESNCCC(CCOCc1ccccc1)(C(N)=O)C(N)=O
InChIInChI=1S/C14H21N3O3/c15-8-6-14(12(16)18,13(17)19)7-9-20-10-11-4-2-1-3-5-11/h1-5H,6-10,15H2,(H2,16,18)(H2,17,19)
InChIKeyXSOYUGCPWPAVDI-UHFFFAOYSA-N
XLogP-0.10
TPSA121.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-aminoethyl)-2-(2-phenylmethoxyethyl)propanediamide?
The IUPAC name of 2-(2-aminoethyl)-2-(2-phenylmethoxyethyl)propanediamide (CID 66835620) is 2-(2-aminoethyl)-2-(2-phenylmethoxyethyl)propanediamide.
What is the SMILES notation for 2-(2-aminoethyl)-2-(2-phenylmethoxyethyl)propanediamide?
The canonical SMILES for 2-(2-aminoethyl)-2-(2-phenylmethoxyethyl)propanediamide is NCCC(CCOCc1ccccc1)(C(N)=O)C(N)=O.
What is the InChIKey of 2-(2-aminoethyl)-2-(2-phenylmethoxyethyl)propanediamide?
The InChIKey is XSOYUGCPWPAVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c15-8-6-14(12(16)18,13(17)19)7-9-20-10-11-4-2-1-3-5-11/h1-5H,6-10,15H2,(H2,16,18)(H2,17,19).
What are the key properties of 2-(2-aminoethyl)-2-(2-phenylmethoxyethyl)propanediamide?
2-(2-aminoethyl)-2-(2-phenylmethoxyethyl)propanediamide has a molecular weight of 279.34 g/mol, XLogP of -0.10, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-2-(2-phenylmethoxyethyl)propanediamide is sourced from PubChem (CID 66835620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).