2-[[2-amino-1-(4-methoxyphenyl)propyl]-methylamino]-N-methylacetamide

C14H23N3O2 — CID 55016193

IUPAC2-[[2-amino-1-(4-methoxyphenyl)propyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C(c1ccc(OC)cc1)C(C)N
InChIInChI=1S/C14H23N3O2/c1-10(15)14(17(3)9-13(18)16-2)11-5-7-12(19-4)8-6-11/h5-8,10,14H,9,15H2,1-4H3,(H,16,18)
InChIKeyOLKLBEHPHHMKPQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.76
Rot. Bonds6

About 2-[[2-amino-1-(4-methoxyphenyl)propyl]-methylamino]-N-methylacetamide

2-[[2-amino-1-(4-methoxyphenyl)propyl]-methylamino]-N-methylacetamide (PubChem CID 55016193) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[[2-amino-1-(4-methoxyphenyl)propyl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-amino-1-(4-methoxyphenyl)propyl]-methylamino]-N-methylacetamide
PubChem CID55016193
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[[2-amino-1-(4-methoxyphenyl)propyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C(c1ccc(OC)cc1)C(C)N
InChIInChI=1S/C14H23N3O2/c1-10(15)14(17(3)9-13(18)16-2)11-5-7-12(19-4)8-6-11/h5-8,10,14H,9,15H2,1-4H3,(H,16,18)
InChIKeyOLKLBEHPHHMKPQ-UHFFFAOYSA-N
XLogP0.76
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-amino-1-(4-methoxyphenyl)ethyl]-ethylamino]-N-methylacetamide
CID 55015522
3-[[2-amino-1-(4-methoxyphenyl)propyl]-methylamino]-2-methylpropanenitrile
CID 55016148
2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]acetamide
CID 55016146
1-(4-methoxyphenyl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55016192
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide
CID 81371329
2-[[2-[1-(4-methoxyphenyl)ethyl-methylamino]acetyl]amino]-N-methyl-2-phenylacetamide
CID 87015978
N-[1-(4-methoxyphenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 51252930
2-[[2-(4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60681059
1-N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 55016241
3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363998
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 119704697
2-[[1-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 60681805

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(4-methoxyphenyl)propyl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-amino-1-(4-methoxyphenyl)propyl]-methylamino]-N-methylacetamide (CID 55016193) is 2-[[2-amino-1-(4-methoxyphenyl)propyl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-amino-1-(4-methoxyphenyl)propyl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-amino-1-(4-methoxyphenyl)propyl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)C(c1ccc(OC)cc1)C(C)N.
What is the InChIKey of 2-[[2-amino-1-(4-methoxyphenyl)propyl]-methylamino]-N-methylacetamide?
The InChIKey is OLKLBEHPHHMKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(15)14(17(3)9-13(18)16-2)11-5-7-12(19-4)8-6-11/h5-8,10,14H,9,15H2,1-4H3,(H,16,18).
What are the key properties of 2-[[2-amino-1-(4-methoxyphenyl)propyl]-methylamino]-N-methylacetamide?
2-[[2-amino-1-(4-methoxyphenyl)propyl]-methylamino]-N-methylacetamide has a molecular weight of 265.36 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(4-methoxyphenyl)propyl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 55016193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).