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

C15H25ClN2O2 — CID 119434352

IUPACN-[3-(methylamino)propyl]-2-(2-methylphenoxy)butanamide;hydrochloride
SMILESCCC(Oc1ccccc1C)C(=O)NCCCNC.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-4-13(15(18)17-11-7-10-16-3)19-14-9-6-5-8-12(14)2;/h5-6,8-9,13,16H,4,7,10-11H2,1-3H3,(H,17,18);1H
InChIKeyPNJVLUHKZKYTPX-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.30
Rot. Bonds8

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

N-[3-(methylamino)propyl]-2-(2-methylphenoxy)butanamide;hydrochloride (PubChem CID 119434352) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-2-(2-methylphenoxy)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-2-(2-methylphenoxy)butanamide;hydrochloride
PubChem CID119434352
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC NameN-[3-(methylamino)propyl]-2-(2-methylphenoxy)butanamide;hydrochloride
SMILESCCC(Oc1ccccc1C)C(=O)NCCCNC.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-4-13(15(18)17-11-7-10-16-3)19-14-9-6-5-8-12(14)2;/h5-6,8-9,13,16H,4,7,10-11H2,1-3H3,(H,17,18);1H
InChIKeyPNJVLUHKZKYTPX-UHFFFAOYSA-N
XLogP2.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-butyl-2-(2-methylphenoxy)butanamide
CID 30398295
2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119434358
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
4-[2-(2-methylphenoxy)butanoylamino]butanoic acid
CID 119352556
3-[2-(2-methylphenoxy)butanoylamino]propanoic acid
CID 119351050
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 93487721
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 93486249
2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide
CID 132655453
(2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide
CID 99952065
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 92682211
N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 53284919

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-2-(2-methylphenoxy)butanamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-2-(2-methylphenoxy)butanamide;hydrochloride (CID 119434352) is N-[3-(methylamino)propyl]-2-(2-methylphenoxy)butanamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-2-(2-methylphenoxy)butanamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-2-(2-methylphenoxy)butanamide;hydrochloride is CCC(Oc1ccccc1C)C(=O)NCCCNC.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-2-(2-methylphenoxy)butanamide;hydrochloride?
The InChIKey is PNJVLUHKZKYTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-4-13(15(18)17-11-7-10-16-3)19-14-9-6-5-8-12(14)2;/h5-6,8-9,13,16H,4,7,10-11H2,1-3H3,(H,17,18);1H.
What are the key properties of N-[3-(methylamino)propyl]-2-(2-methylphenoxy)butanamide;hydrochloride?
N-[3-(methylamino)propyl]-2-(2-methylphenoxy)butanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-2-(2-methylphenoxy)butanamide;hydrochloride is sourced from PubChem (CID 119434352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).