N-[2-(ethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride

C15H23ClN2O3 — CID 119506776

IUPACN-[2-(ethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride
SMILESCCNCCNC(=O)CCC(=O)c1ccc(OC)cc1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-3-16-10-11-17-15(19)9-8-14(18)12-4-6-13(20-2)7-5-12;/h4-7,16H,3,8-11H2,1-2H3,(H,17,19);1H
InChIKeyVQPKBJGFMKNLKC-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.81
Rot. Bonds9

About N-[2-(ethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride

N-[2-(ethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride (PubChem CID 119506776) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride
PubChem CID119506776
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC NameN-[2-(ethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride
SMILESCCNCCNC(=O)CCC(=O)c1ccc(OC)cc1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-3-16-10-11-17-15(19)9-8-14(18)12-4-6-13(20-2)7-5-12;/h4-7,16H,3,8-11H2,1-2H3,(H,17,19);1H
InChIKeyVQPKBJGFMKNLKC-UHFFFAOYSA-N
XLogP1.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(ethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide;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

N-[2-(ethylamino)ethyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119505213
N-[2-(ethylamino)ethyl]-4-(4-methoxyphenoxy)butanamide;hydrochloride
CID 119504704
N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110609779
4-(4-methoxyphenyl)-4-oxo-N-(2-propan-2-yloxyethyl)butanamide
CID 110418794
4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 8934923
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119505484
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 26695901
4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
CID 20969140
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylamino)ethyl]-4-oxobutanamide
CID 119505485
4-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)butyl]-4-oxobutanamide
CID 110307812
N-[3-(ethylaminomethyl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 119438264

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride (CID 119506776) is N-[2-(ethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride is CCNCCNC(=O)CCC(=O)c1ccc(OC)cc1.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride?
The InChIKey is VQPKBJGFMKNLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-3-16-10-11-17-15(19)9-8-14(18)12-4-6-13(20-2)7-5-12;/h4-7,16H,3,8-11H2,1-2H3,(H,17,19);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride?
N-[2-(ethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 119506776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).