3-amino-N-benzyl-2,2-dimethoxypropanamide

C12H18N2O3 — CID 89307343

IUPAC3-amino-N-benzyl-2,2-dimethoxypropanamide
SMILESCOC(CN)(OC)C(=O)NCc1ccccc1
InChIInChI=1S/C12H18N2O3/c1-16-12(9-13,17-2)11(15)14-8-10-6-4-3-5-7-10/h3-7H,8-9,13H2,1-2H3,(H,14,15)
InChIKeyVFQSFXCEZDNTKW-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.25
Rot. Bonds6

About 3-amino-N-benzyl-2,2-dimethoxypropanamide

3-amino-N-benzyl-2,2-dimethoxypropanamide (PubChem CID 89307343) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-amino-N-benzyl-2,2-dimethoxypropanamide.

Molecular Properties

Compound Name3-amino-N-benzyl-2,2-dimethoxypropanamide
PubChem CID89307343
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-amino-N-benzyl-2,2-dimethoxypropanamide
SMILESCOC(CN)(OC)C(=O)NCc1ccccc1
InChIInChI=1S/C12H18N2O3/c1-16-12(9-13,17-2)11(15)14-8-10-6-4-3-5-7-10/h3-7H,8-9,13H2,1-2H3,(H,14,15)
InChIKeyVFQSFXCEZDNTKW-UHFFFAOYSA-N
XLogP0.25
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-2,2-dimethoxypropanamide?
The IUPAC name of 3-amino-N-benzyl-2,2-dimethoxypropanamide (CID 89307343) is 3-amino-N-benzyl-2,2-dimethoxypropanamide.
What is the SMILES notation for 3-amino-N-benzyl-2,2-dimethoxypropanamide?
The canonical SMILES for 3-amino-N-benzyl-2,2-dimethoxypropanamide is COC(CN)(OC)C(=O)NCc1ccccc1.
What is the InChIKey of 3-amino-N-benzyl-2,2-dimethoxypropanamide?
The InChIKey is VFQSFXCEZDNTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-16-12(9-13,17-2)11(15)14-8-10-6-4-3-5-7-10/h3-7H,8-9,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-N-benzyl-2,2-dimethoxypropanamide?
3-amino-N-benzyl-2,2-dimethoxypropanamide has a molecular weight of 238.29 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-2,2-dimethoxypropanamide is sourced from PubChem (CID 89307343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).