N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methoxypentanamide

C18H28N2O3 — CID 86871795

IUPACN-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methoxypentanamide
SMILESCCN(CC)C(=O)Cc1ccc(NC(=O)CCCCOC)cc1
InChIInChI=1S/C18H28N2O3/c1-4-20(5-2)18(22)14-15-9-11-16(12-10-15)19-17(21)8-6-7-13-23-3/h9-12H,4-8,13-14H2,1-3H3,(H,19,21)
InChIKeyYQPQXZYUAWOLHV-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.85
Rot. Bonds10

About N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methoxypentanamide

N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methoxypentanamide (PubChem CID 86871795) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methoxypentanamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methoxypentanamide
PubChem CID86871795
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methoxypentanamide
SMILESCCN(CC)C(=O)Cc1ccc(NC(=O)CCCCOC)cc1
InChIInChI=1S/C18H28N2O3/c1-4-20(5-2)18(22)14-15-9-11-16(12-10-15)19-17(21)8-6-7-13-23-3/h9-12H,4-8,13-14H2,1-3H3,(H,19,21)
InChIKeyYQPQXZYUAWOLHV-UHFFFAOYSA-N
XLogP2.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methoxypentanamide 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-[[5-(diethylamino)-5-oxopentanoyl]amino]benzoic acid
CID 119177704
N-[4-(3,5-dioxohexyl)phenyl]-N',N'-diethylpentanediamide
CID 171556867
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-hydroxybutanamide
CID 79200620
N',N'-diethyl-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]pentanediamide
CID 56520484
methyl 2-[[2-(4-acetamidophenyl)acetyl]-ethylamino]acetate
CID 61383483
N-[4-(3-methoxypropylamino)phenyl]-2-(4-methylphenyl)acetamide
CID 112981081
N-butan-2-yl-4-(5-methoxypentanoylamino)benzamide
CID 126801750
N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide
CID 17196837
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119719005
heptyl 2-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]acetate
CID 155516196
N-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamothioyl]octanamide
CID 43915035
N-(4-heptylphenyl)heptanamide
CID 101077737

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methoxypentanamide?
The IUPAC name of N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methoxypentanamide (CID 86871795) is N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methoxypentanamide.
What is the SMILES notation for N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methoxypentanamide?
The canonical SMILES for N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methoxypentanamide is CCN(CC)C(=O)Cc1ccc(NC(=O)CCCCOC)cc1.
What is the InChIKey of N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methoxypentanamide?
The InChIKey is YQPQXZYUAWOLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-20(5-2)18(22)14-15-9-11-16(12-10-15)19-17(21)8-6-7-13-23-3/h9-12H,4-8,13-14H2,1-3H3,(H,19,21).
What are the key properties of N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methoxypentanamide?
N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methoxypentanamide has a molecular weight of 320.43 g/mol, XLogP of 2.85, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methoxypentanamide is sourced from PubChem (CID 86871795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).