2-[2-aminoethyl(2-phenylethyl)amino]-N-(oxan-4-yl)acetamide

C17H27N3O2 — CID 120872328

IUPAC2-[2-aminoethyl(2-phenylethyl)amino]-N-(oxan-4-yl)acetamide
SMILESNCCN(CCc1ccccc1)CC(=O)NC1CCOCC1
InChIInChI=1S/C17H27N3O2/c18-9-11-20(10-6-15-4-2-1-3-5-15)14-17(21)19-16-7-12-22-13-8-16/h1-5,16H,6-14,18H2,(H,19,21)
InChIKeyNSUDURLTOJSSOS-UHFFFAOYSA-N
MW305.42 g/mol
LogP0.79
Rot. Bonds8

About 2-[2-aminoethyl(2-phenylethyl)amino]-N-(oxan-4-yl)acetamide

2-[2-aminoethyl(2-phenylethyl)amino]-N-(oxan-4-yl)acetamide (PubChem CID 120872328) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(oxan-4-yl)acetamide
PubChem CID120872328
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(oxan-4-yl)acetamide
SMILESNCCN(CCc1ccccc1)CC(=O)NC1CCOCC1
InChIInChI=1S/C17H27N3O2/c18-9-11-20(10-6-15-4-2-1-3-5-15)14-17(21)19-16-7-12-22-13-8-16/h1-5,16H,6-14,18H2,(H,19,21)
InChIKeyNSUDURLTOJSSOS-UHFFFAOYSA-N
XLogP0.79
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(oxan-4-yl)acetamide (CID 120872328) is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(oxan-4-yl)acetamide is NCCN(CCc1ccccc1)CC(=O)NC1CCOCC1.
What is the InChIKey of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(oxan-4-yl)acetamide?
The InChIKey is NSUDURLTOJSSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c18-9-11-20(10-6-15-4-2-1-3-5-15)14-17(21)19-16-7-12-22-13-8-16/h1-5,16H,6-14,18H2,(H,19,21).
What are the key properties of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(oxan-4-yl)acetamide?
2-[2-aminoethyl(2-phenylethyl)amino]-N-(oxan-4-yl)acetamide has a molecular weight of 305.42 g/mol, XLogP of 0.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 120872328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).