4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride

C14H23ClN2O2 — CID 119500056

IUPAC4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
SMILESCNCCNC(=O)CCCc1ccc(OC)cc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-15-10-11-16-14(17)5-3-4-12-6-8-13(18-2)9-7-12;/h6-9,15H,3-5,10-11H2,1-2H3,(H,16,17);1H
InChIKeyQCYUCSYNYPWEHB-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.78
Rot. Bonds8

About 4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride

4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride (PubChem CID 119500056) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
PubChem CID119500056
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
SMILESCNCCNC(=O)CCCc1ccc(OC)cc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-15-10-11-16-14(17)5-3-4-12-6-8-13(18-2)9-7-12;/h6-9,15H,3-5,10-11H2,1-2H3,(H,16,17);1H
InChIKeyQCYUCSYNYPWEHB-UHFFFAOYSA-N
XLogP1.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.78
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-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665
N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119406247
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide
CID 110309527
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 3613637
5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide
CID 110297852
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)pentanamide
CID 110297832
5-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]pentanamide;hydrochloride
CID 119501450
N-(3-aminobutyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119496458
4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119444966

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride?
The IUPAC name of 4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride (CID 119500056) is 4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride is CNCCNC(=O)CCCc1ccc(OC)cc1.Cl.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride?
The InChIKey is QCYUCSYNYPWEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-15-10-11-16-14(17)5-3-4-12-6-8-13(18-2)9-7-12;/h6-9,15H,3-5,10-11H2,1-2H3,(H,16,17);1H.
What are the key properties of 4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride?
4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119500056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).