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

C13H21ClN2O2 — CID 119274543

IUPAC3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
SMILESCc1cccc(OCCN(C)C(=O)CCN)c1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-11-4-3-5-12(10-11)17-9-8-15(2)13(16)6-7-14;/h3-5,10H,6-9,14H2,1-2H3;1H
InChIKeyYWEYVKKWNBOVIK-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.60
Rot. Bonds6

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

3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride (PubChem CID 119274543) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
PubChem CID119274543
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
SMILESCc1cccc(OCCN(C)C(=O)CCN)c1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-11-4-3-5-12(10-11)17-9-8-15(2)13(16)6-7-14;/h3-5,10H,6-9,14H2,1-2H3;1H
InChIKeyYWEYVKKWNBOVIK-UHFFFAOYSA-N
XLogP1.60
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 55149658
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide
CID 82011195
4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 120587503
2,2-dimethyl-4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 65302126
N-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 115691597
(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 119274564
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305
propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate
CID 112738751
N,N-dimethyl-3-(3-methylphenoxy)propanamide
CID 60637097
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride (CID 119274543) is 3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride is Cc1cccc(OCCN(C)C(=O)CCN)c1.Cl.
What is the InChIKey of 3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride?
The InChIKey is YWEYVKKWNBOVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-11-4-3-5-12(10-11)17-9-8-15(2)13(16)6-7-14;/h3-5,10H,6-9,14H2,1-2H3;1H.
What are the key properties of 3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride?
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119274543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).