N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide

C₁₇H₂₇N₃O₂ — CID 119995447

About N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide

N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide (PubChem CID 119995447) has the molecular formula C₁₇H₂₇N₃O₂ and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide.

Molecular Properties

• Compound Name: N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide
• PubChem CID: 119995447
• Molecular Formula: C₁₇H₂₇N₃O₂
• Molecular Weight: 305.42 g/mol
• Exact Mass: 305.21
• IUPAC Name: N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide
• SMILES: CC(CN)CNC(=O)CC1CN(Cc2ccccc2)CCO1
• InChI: InChI=1S/C17H27N3O2/c1-14(10-18)11-19-17(21)9-16-13-20(7-8-22-16)12-15-5-3-2-4-6-15/h2-6,14,16H,7-13,18H2,1H3,(H,19,21)
• InChIKey: JOGQJZUIOQEMPD-UHFFFAOYSA-N
• XLogP: 0.99
• TPSA: 67.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.42
LogP ≤ 5	0.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide?

The IUPAC name of N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide (CID 119995447) is N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide.

What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide?

The canonical SMILES for N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide is CC(CN)CNC(=O)CC1CN(Cc2ccccc2)CCO1.

What is the InChIKey of N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide?

The InChIKey is JOGQJZUIOQEMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14(10-18)11-19-17(21)9-16-13-20(7-8-22-16)12-15-5-3-2-4-6-15/h2-6,14,16H,7-13,18H2,1H3,(H,19,21).

What are the key properties of N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide?

N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide has a molecular weight of 305.42 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide is sourced from PubChem (CID 119995447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 119995447 — identifiers, structure, computed properties (public domain)

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