3-amino-N-[2-(2-methoxyphenoxy)propyl]-2-methylbutanamide;hydrochloride

C15H25ClN2O3 — CID 120501660

IUPAC3-amino-N-[2-(2-methoxyphenoxy)propyl]-2-methylbutanamide;hydrochloride
SMILESCOc1ccccc1OC(C)CNC(=O)C(C)C(C)N.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-10(9-17-15(18)11(2)12(3)16)20-14-8-6-5-7-13(14)19-4;/h5-8,10-12H,9,16H2,1-4H3,(H,17,18);1H
InChIKeyNTPBSENGNCWZSL-UHFFFAOYSA-N
MW316.83 g/mol
LogP1.98
Rot. Bonds7

About 3-amino-N-[2-(2-methoxyphenoxy)propyl]-2-methylbutanamide;hydrochloride

3-amino-N-[2-(2-methoxyphenoxy)propyl]-2-methylbutanamide;hydrochloride (PubChem CID 120501660) has the molecular formula C15H25ClN2O3 and a molecular weight of 316.83 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methoxyphenoxy)propyl]-2-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2-methoxyphenoxy)propyl]-2-methylbutanamide;hydrochloride
PubChem CID120501660
Molecular FormulaC15H25ClN2O3
Molecular Weight316.83 g/mol
Exact Mass316.16
IUPAC Name3-amino-N-[2-(2-methoxyphenoxy)propyl]-2-methylbutanamide;hydrochloride
SMILESCOc1ccccc1OC(C)CNC(=O)C(C)C(C)N.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-10(9-17-15(18)11(2)12(3)16)20-14-8-6-5-7-13(14)19-4;/h5-8,10-12H,9,16H2,1-4H3,(H,17,18);1H
InChIKeyNTPBSENGNCWZSL-UHFFFAOYSA-N
XLogP1.98
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(2-methoxyphenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119804840
3-amino-N-[2-(2-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119804798
2-(aminomethyl)-N-[2-(2-methoxyphenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 119804819
3-[2-(2-methoxyphenoxy)propylcarbamoylamino]propanoic acid
CID 122004183
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(2-methoxyphenoxy)propyl]propanamide
CID 96567828
1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine
CID 111820552
1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111820551
(2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119804898
2-amino-N-[2-(2-bromophenoxy)propyl]-3-methylpentanamide;hydrochloride
CID 119804711
2-amino-N-[2-(2-methylphenoxy)propyl]-2-phenylacetamide
CID 119335783
2-amino-N-[2-(4-methoxyphenoxy)propyl]-2-phenylacetamide;hydrochloride
CID 119290481
(2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119335772

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methoxyphenoxy)propyl]-2-methylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2-methoxyphenoxy)propyl]-2-methylbutanamide;hydrochloride (CID 120501660) is 3-amino-N-[2-(2-methoxyphenoxy)propyl]-2-methylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2-methoxyphenoxy)propyl]-2-methylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2-methoxyphenoxy)propyl]-2-methylbutanamide;hydrochloride is COc1ccccc1OC(C)CNC(=O)C(C)C(C)N.Cl.
What is the InChIKey of 3-amino-N-[2-(2-methoxyphenoxy)propyl]-2-methylbutanamide;hydrochloride?
The InChIKey is NTPBSENGNCWZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3.ClH/c1-10(9-17-15(18)11(2)12(3)16)20-14-8-6-5-7-13(14)19-4;/h5-8,10-12H,9,16H2,1-4H3,(H,17,18);1H.
What are the key properties of 3-amino-N-[2-(2-methoxyphenoxy)propyl]-2-methylbutanamide;hydrochloride?
3-amino-N-[2-(2-methoxyphenoxy)propyl]-2-methylbutanamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methoxyphenoxy)propyl]-2-methylbutanamide;hydrochloride is sourced from PubChem (CID 120501660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).