3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride

C13H21ClN2O2 — CID 119335768

IUPAC3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
SMILESCc1ccccc1OC(C)CNC(=O)CCN.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-10-5-3-4-6-12(10)17-11(2)9-15-13(16)7-8-14;/h3-6,11H,7-9,14H2,1-2H3,(H,15,16);1H
InChIKeyKMMKULWYJUXUPQ-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.65
Rot. Bonds6

About 3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride

3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride (PubChem CID 119335768) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
PubChem CID119335768
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
SMILESCc1ccccc1OC(C)CNC(=O)CCN.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-10-5-3-4-6-12(10)17-11(2)9-15-13(16)7-8-14;/h3-6,11H,7-9,14H2,1-2H3,(H,15,16);1H
InChIKeyKMMKULWYJUXUPQ-UHFFFAOYSA-N
XLogP1.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
CID 82108960
2-methyl-3-(methylamino)-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119804994
2,2-dimethyl-N-[2-[2-(2-methylphenoxy)propylamino]-2-oxoethyl]propanamide
CID 71998406
2-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
CID 82109450
2-amino-N-[2-(2-methylphenoxy)propyl]-2-phenylacetamide
CID 119335783
(2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119335772
4-amino-N-(2-phenoxypropyl)butanamide;hydrochloride
CID 119295533
1-amino-4-(2-methylphenoxy)pentan-2-one
CID 82395635
2-(2-methylphenoxy)propylhydrazine
CID 82280822
(2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119335774
1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea
CID 111508541
3-amino-N-[2-(3-chlorophenoxy)propyl]propanamide;hydrochloride
CID 119336975

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride (CID 119335768) is 3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride is Cc1ccccc1OC(C)CNC(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride?
The InChIKey is KMMKULWYJUXUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-10-5-3-4-6-12(10)17-11(2)9-15-13(16)7-8-14;/h3-6,11H,7-9,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride?
3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride is sourced from PubChem (CID 119335768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).