2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanediamide;hydrochloride

C14H22ClN3O4 — CID 119956088

IUPAC2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanediamide;hydrochloride
SMILESCOc1ccc(OCCN(C)C(=O)C(N)CC(N)=O)cc1.Cl
InChIInChI=1S/C14H21N3O4.ClH/c1-17(14(19)12(15)9-13(16)18)7-8-21-11-5-3-10(20-2)4-6-11;/h3-6,12H,7-9,15H2,1-2H3,(H2,16,18);1H
InChIKeyUCGVQBRAVXRDRE-UHFFFAOYSA-N
MW331.80 g/mol
LogP0.16
Rot. Bonds8

About 2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanediamide;hydrochloride

2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanediamide;hydrochloride (PubChem CID 119956088) has the molecular formula C14H22ClN3O4 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanediamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanediamide;hydrochloride
PubChem CID119956088
Molecular FormulaC14H22ClN3O4
Molecular Weight331.80 g/mol
Exact Mass331.13
IUPAC Name2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanediamide;hydrochloride
SMILESCOc1ccc(OCCN(C)C(=O)C(N)CC(N)=O)cc1.Cl
InChIInChI=1S/C14H21N3O4.ClH/c1-17(14(19)12(15)9-13(16)18)7-8-21-11-5-3-10(20-2)4-6-11;/h3-6,12H,7-9,15H2,1-2H3,(H2,16,18);1H
InChIKeyUCGVQBRAVXRDRE-UHFFFAOYSA-N
XLogP0.16
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanediamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanediamide;hydrochloride (CID 119956088) is 2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanediamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanediamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanediamide;hydrochloride is COc1ccc(OCCN(C)C(=O)C(N)CC(N)=O)cc1.Cl.
What is the InChIKey of 2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanediamide;hydrochloride?
The InChIKey is UCGVQBRAVXRDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4.ClH/c1-17(14(19)12(15)9-13(16)18)7-8-21-11-5-3-10(20-2)4-6-11;/h3-6,12H,7-9,15H2,1-2H3,(H2,16,18);1H.
What are the key properties of 2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanediamide;hydrochloride?
2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanediamide;hydrochloride has a molecular weight of 331.80 g/mol, XLogP of 0.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanediamide;hydrochloride is sourced from PubChem (CID 119956088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).