2-[[2-amino-1-(4-methoxyphenyl)ethyl]-ethylamino]-N-methylacetamide

C14H23N3O2 — CID 55015522

IUPAC2-[[2-amino-1-(4-methoxyphenyl)ethyl]-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)C(CN)c1ccc(OC)cc1
InChIInChI=1S/C14H23N3O2/c1-4-17(10-14(18)16-2)13(9-15)11-5-7-12(19-3)8-6-11/h5-8,13H,4,9-10,15H2,1-3H3,(H,16,18)
InChIKeyCTGZBVFBZSAMJC-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.76
Rot. Bonds7

About 2-[[2-amino-1-(4-methoxyphenyl)ethyl]-ethylamino]-N-methylacetamide

2-[[2-amino-1-(4-methoxyphenyl)ethyl]-ethylamino]-N-methylacetamide (PubChem CID 55015522) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[[2-amino-1-(4-methoxyphenyl)ethyl]-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-amino-1-(4-methoxyphenyl)ethyl]-ethylamino]-N-methylacetamide
PubChem CID55015522
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[[2-amino-1-(4-methoxyphenyl)ethyl]-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)C(CN)c1ccc(OC)cc1
InChIInChI=1S/C14H23N3O2/c1-4-17(10-14(18)16-2)13(9-15)11-5-7-12(19-3)8-6-11/h5-8,13H,4,9-10,15H2,1-3H3,(H,16,18)
InChIKeyCTGZBVFBZSAMJC-UHFFFAOYSA-N
XLogP0.76
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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)propyl]-methylamino]-N-methylacetamide
CID 55016193
N-ethyl-N-(2-ethylbutyl)-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 61437202
N-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine
CID 43268541
2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol
CID 55015957
2-[(2-amino-1-phenylethyl)-ethylamino]acetamide
CID 103101334
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide
CID 81371329
2-[[2-amino-1-(4-methoxyphenyl)ethyl]-(cyanomethyl)amino]acetonitrile
CID 55015615
N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-3-methylsulfonylpropanamide
CID 110621812
N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 112503668
1-(4-methoxyphenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 43570775
2-[[2-amino-1-(4-methoxyphenyl)butyl]-ethylamino]acetamide
CID 103101362
(1S)-N,N-diethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 9450069

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(4-methoxyphenyl)ethyl]-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-amino-1-(4-methoxyphenyl)ethyl]-ethylamino]-N-methylacetamide (CID 55015522) is 2-[[2-amino-1-(4-methoxyphenyl)ethyl]-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-amino-1-(4-methoxyphenyl)ethyl]-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-amino-1-(4-methoxyphenyl)ethyl]-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)C(CN)c1ccc(OC)cc1.
What is the InChIKey of 2-[[2-amino-1-(4-methoxyphenyl)ethyl]-ethylamino]-N-methylacetamide?
The InChIKey is CTGZBVFBZSAMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-17(10-14(18)16-2)13(9-15)11-5-7-12(19-3)8-6-11/h5-8,13H,4,9-10,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[[2-amino-1-(4-methoxyphenyl)ethyl]-ethylamino]-N-methylacetamide?
2-[[2-amino-1-(4-methoxyphenyl)ethyl]-ethylamino]-N-methylacetamide has a molecular weight of 265.36 g/mol, XLogP of 0.76, 7 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)ethyl]-ethylamino]-N-methylacetamide is sourced from PubChem (CID 55015522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).