2-[(2-amino-3-methoxypropyl)-methylamino]-N-benzylacetamide

C14H23N3O2 — CID 63761523

IUPAC2-[(2-amino-3-methoxypropyl)-methylamino]-N-benzylacetamide
SMILESCOCC(N)CN(C)CC(=O)NCc1ccccc1
InChIInChI=1S/C14H23N3O2/c1-17(9-13(15)11-19-2)10-14(18)16-8-12-6-4-3-5-7-12/h3-7,13H,8-11,15H2,1-2H3,(H,16,18)
InChIKeyWXJBIIGYCOMKKN-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.21
Rot. Bonds8

About 2-[(2-amino-3-methoxypropyl)-methylamino]-N-benzylacetamide

2-[(2-amino-3-methoxypropyl)-methylamino]-N-benzylacetamide (PubChem CID 63761523) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[(2-amino-3-methoxypropyl)-methylamino]-N-benzylacetamide.

Molecular Properties

Compound Name2-[(2-amino-3-methoxypropyl)-methylamino]-N-benzylacetamide
PubChem CID63761523
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[(2-amino-3-methoxypropyl)-methylamino]-N-benzylacetamide
SMILESCOCC(N)CN(C)CC(=O)NCc1ccccc1
InChIInChI=1S/C14H23N3O2/c1-17(9-13(15)11-19-2)10-14(18)16-8-12-6-4-3-5-7-12/h3-7,13H,8-11,15H2,1-2H3,(H,16,18)
InChIKeyWXJBIIGYCOMKKN-UHFFFAOYSA-N
XLogP0.21
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-3-methoxypropyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 63760314
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 62014386
1-(3-amino-4-methoxybutyl)-3-benzylurea
CID 106243722
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(4-fluorophenyl)acetamide
CID 63760310
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(3-methylphenyl)acetamide
CID 55242966
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 63760493
N-(2-amino-3-methoxypropyl)-N-methylbenzamide
CID 63753648
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(3-methoxyphenyl)acetamide
CID 63761521
methyl 2-methyl-3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoate
CID 60966133
1-(2-amino-3-methoxypropyl)-3-benzyl-1-[4-(4-propylphenyl)phenyl]urea;ethane
CID 169109483
2-[acetyl(butan-2-yl)amino]-N-benzylacetamide
CID 113159031
(2R)-N-benzyl-3-methoxy-2-methylpropanamide
CID 12051861

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-methoxypropyl)-methylamino]-N-benzylacetamide?
The IUPAC name of 2-[(2-amino-3-methoxypropyl)-methylamino]-N-benzylacetamide (CID 63761523) is 2-[(2-amino-3-methoxypropyl)-methylamino]-N-benzylacetamide.
What is the SMILES notation for 2-[(2-amino-3-methoxypropyl)-methylamino]-N-benzylacetamide?
The canonical SMILES for 2-[(2-amino-3-methoxypropyl)-methylamino]-N-benzylacetamide is COCC(N)CN(C)CC(=O)NCc1ccccc1.
What is the InChIKey of 2-[(2-amino-3-methoxypropyl)-methylamino]-N-benzylacetamide?
The InChIKey is WXJBIIGYCOMKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-17(9-13(15)11-19-2)10-14(18)16-8-12-6-4-3-5-7-12/h3-7,13H,8-11,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[(2-amino-3-methoxypropyl)-methylamino]-N-benzylacetamide?
2-[(2-amino-3-methoxypropyl)-methylamino]-N-benzylacetamide has a molecular weight of 265.36 g/mol, XLogP of 0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-methoxypropyl)-methylamino]-N-benzylacetamide is sourced from PubChem (CID 63761523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).