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

C15H25ClN2O2 — CID 119772252

IUPAC4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NCCCOc1ccccc1C.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-13-7-3-4-8-14(13)19-12-6-11-17-15(18)9-5-10-16-2;/h3-4,7-8,16H,5-6,9-12H2,1-2H3,(H,17,18);1H
InChIKeyCQLUGTPATLYHMK-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.30
Rot. Bonds9

About 4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride

4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride (PubChem CID 119772252) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride
PubChem CID119772252
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NCCCOc1ccccc1C.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-13-7-3-4-8-14(13)19-12-6-11-17-15(18)9-5-10-16-2;/h3-4,7-8,16H,5-6,9-12H2,1-2H3,(H,17,18);1H
InChIKeyCQLUGTPATLYHMK-UHFFFAOYSA-N
XLogP2.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
CID 127115832
4-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 43239219
2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742926
4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 19174762
N-[2-(2-methylphenoxy)ethyl]-4-phenylbutanamide
CID 60538344
N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride
CID 17178031
4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride
CID 119757236
2-amino-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119300070
N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide
CID 600522
N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride
CID 119747931
2-(cyclopropylmethylamino)-N-[3-(2-methylphenoxy)propyl]acetamide;hydrochloride
CID 119772272
1-amino-N-[3-(2-methylphenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119317018

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride (CID 119772252) is 4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride is CNCCCC(=O)NCCCOc1ccccc1C.Cl.
What is the InChIKey of 4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride?
The InChIKey is CQLUGTPATLYHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-13-7-3-4-8-14(13)19-12-6-11-17-15(18)9-5-10-16-2;/h3-4,7-8,16H,5-6,9-12H2,1-2H3,(H,17,18);1H.
What are the key properties of 4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride?
4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride is sourced from PubChem (CID 119772252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).