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

C15H25ClN2O3 — CID 119747931

IUPACN-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCCCOc1ccc(OC)cc1.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-16-10-3-5-15(18)17-11-4-12-20-14-8-6-13(19-2)7-9-14;/h6-9,16H,3-5,10-12H2,1-2H3,(H,17,18);1H
InChIKeyLNRYRKDDYSAWDZ-UHFFFAOYSA-N
MW316.83 g/mol
LogP2.00
Rot. Bonds10

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

N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119747931) has the molecular formula C15H25ClN2O3 and a molecular weight of 316.83 g/mol. Its IUPAC name is N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119747931
Molecular FormulaC15H25ClN2O3
Molecular Weight316.83 g/mol
Exact Mass316.16
IUPAC NameN-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCCCOc1ccc(OC)cc1.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-16-10-3-5-15(18)17-11-4-12-20-14-8-6-13(19-2)7-9-14;/h6-9,16H,3-5,10-12H2,1-2H3,(H,17,18);1H
InChIKeyLNRYRKDDYSAWDZ-UHFFFAOYSA-N
XLogP2.00
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride
CID 119757236
N-[2-(3,5-dimethoxyphenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119822601
4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide
CID 119722655
N-[2-(ethylamino)ethyl]-4-(4-methoxyphenoxy)butanamide;hydrochloride
CID 119504704
N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657
N-[3-(4-methoxyphenoxy)propyl]acetamide
CID 60578635
N-[2-(3-bromophenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119746365
4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid
CID 28511511
4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500056
4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride
CID 119772252
4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide
CID 119500483
N-[2-(ethylamino)ethyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119505213

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride (CID 119747931) is N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)NCCCOc1ccc(OC)cc1.Cl.
What is the InChIKey of N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is LNRYRKDDYSAWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3.ClH/c1-16-10-3-5-15(18)17-11-4-12-20-14-8-6-13(19-2)7-9-14;/h6-9,16H,3-5,10-12H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride?
N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 2.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119747931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).