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

C15H25ClN2O2 — CID 119757236

IUPAC4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NCCCOc1ccc(C)cc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-13-6-8-14(9-7-13)19-12-4-11-17-15(18)5-3-10-16-2;/h6-9,16H,3-5,10-12H2,1-2H3,(H,17,18);1H
InChIKeyZSLRJZCBHGEPQA-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.30
Rot. Bonds9

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

4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride (PubChem CID 119757236) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride
PubChem CID119757236
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NCCCOc1ccc(C)cc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-13-6-8-14(9-7-13)19-12-4-11-17-15(18)5-3-10-16-2;/h6-9,16H,3-5,10-12H2,1-2H3,(H,17,18);1H
InChIKeyZSLRJZCBHGEPQA-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

4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide
CID 119722655
N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride
CID 119747931
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784
N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
CID 106843542
4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride
CID 119772252
N-[2-(3,5-dimethoxyphenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119822601
N-[3-(4-methylphenoxy)propyl]acetamide
CID 58966904
4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 19174762
N-[2-(3-bromophenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119746365
N-methyl-5-(4-methylphenoxy)pentanamide
CID 134582282
3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide
CID 10803968
4-[3-[3-(4-methylphenoxy)propylamino]-3-oxopropyl]benzoic acid
CID 119182918

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride (CID 119757236) is 4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride is CNCCCC(=O)NCCCOc1ccc(C)cc1.Cl.
What is the InChIKey of 4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride?
The InChIKey is ZSLRJZCBHGEPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-13-6-8-14(9-7-13)19-12-4-11-17-15(18)5-3-10-16-2;/h6-9,16H,3-5,10-12H2,1-2H3,(H,17,18);1H.
What are the key properties of 4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride?
4-(methylamino)-N-[3-(4-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-(4-methylphenoxy)propyl]butanamide;hydrochloride is sourced from PubChem (CID 119757236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).