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

C15H25ClN2O2 — CID 119804933

IUPAC2-methyl-3-(methylamino)-N-[2-(3-methylphenoxy)propyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCC(C)Oc1cccc(C)c1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-11-6-5-7-14(8-11)19-13(3)10-17-15(18)12(2)9-16-4;/h5-8,12-13,16H,9-10H2,1-4H3,(H,17,18);1H
InChIKeyQRVXOZIFZNIBGG-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.16
Rot. Bonds7

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

2-methyl-3-(methylamino)-N-[2-(3-methylphenoxy)propyl]propanamide;hydrochloride (PubChem CID 119804933) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[2-(3-methylphenoxy)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[2-(3-methylphenoxy)propyl]propanamide;hydrochloride
PubChem CID119804933
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name2-methyl-3-(methylamino)-N-[2-(3-methylphenoxy)propyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCC(C)Oc1cccc(C)c1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-11-6-5-7-14(8-11)19-13(3)10-17-15(18)12(2)9-16-4;/h5-8,12-13,16H,9-10H2,1-4H3,(H,17,18);1H
InChIKeyQRVXOZIFZNIBGG-UHFFFAOYSA-N
XLogP2.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119807127
N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119807128
N-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119804487
2-methyl-3-(methylamino)-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119804994
(2S)-2-amino-N-[2-(3-methylphenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119335742
4-(aminomethyl)-N-[2-(3-methylphenoxy)propyl]benzamide;hydrochloride
CID 119335746
2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide;hydrochloride
CID 119804957
4-[2-(3-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673900
2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide
CID 119804958
N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119335744
2-methyl-3-(methylamino)-N-[2-(4-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119681162
N-[(2R)-2-(ethylamino)propyl]-2-(3-methylphenoxy)butanamide;hydrochloride
CID 120652172

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[2-(3-methylphenoxy)propyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[2-(3-methylphenoxy)propyl]propanamide;hydrochloride (CID 119804933) is 2-methyl-3-(methylamino)-N-[2-(3-methylphenoxy)propyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[2-(3-methylphenoxy)propyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[2-(3-methylphenoxy)propyl]propanamide;hydrochloride is CNCC(C)C(=O)NCC(C)Oc1cccc(C)c1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[2-(3-methylphenoxy)propyl]propanamide;hydrochloride?
The InChIKey is QRVXOZIFZNIBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-11-6-5-7-14(8-11)19-13(3)10-17-15(18)12(2)9-16-4;/h5-8,12-13,16H,9-10H2,1-4H3,(H,17,18);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[2-(3-methylphenoxy)propyl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[2-(3-methylphenoxy)propyl]propanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[2-(3-methylphenoxy)propyl]propanamide;hydrochloride is sourced from PubChem (CID 119804933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).