N-(3-hydroxypropyl)-4-oxo-4-(4-propoxyphenyl)butanamide

C16H23NO4 — CID 78796002

IUPACN-(3-hydroxypropyl)-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NCCCO)cc1
InChIInChI=1S/C16H23NO4/c1-2-12-21-14-6-4-13(5-7-14)15(19)8-9-16(20)17-10-3-11-18/h4-7,18H,2-3,8-12H2,1H3,(H,17,20)
InChIKeyYXUMVMYXMQBPOI-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.94
Rot. Bonds10

About N-(3-hydroxypropyl)-4-oxo-4-(4-propoxyphenyl)butanamide

N-(3-hydroxypropyl)-4-oxo-4-(4-propoxyphenyl)butanamide (PubChem CID 78796002) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-oxo-4-(4-propoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-oxo-4-(4-propoxyphenyl)butanamide
PubChem CID78796002
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-(3-hydroxypropyl)-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NCCCO)cc1
InChIInChI=1S/C16H23NO4/c1-2-12-21-14-6-4-13(5-7-14)15(19)8-9-16(20)17-10-3-11-18/h4-7,18H,2-3,8-12H2,1H3,(H,17,20)
InChIKeyYXUMVMYXMQBPOI-UHFFFAOYSA-N
XLogP1.94
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-hydroxypropyl)-4-oxo-4-(4-propoxyphenyl)butanamide 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-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110307315
N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 38451172
N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 7779404
N-butan-2-yl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 78773838
butyl 4-oxo-4-(4-propoxyphenyl)butanoate
CID 60731121
N-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 108795533
4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
CID 110493382
4-oxo-N-[2-oxo-2-(propylamino)ethyl]-4-(4-propoxyphenyl)-N-propylbutanamide
CID 55861980
N-(3-hydroxypropyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 110487301
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
N-butyl-4-propoxybenzamide
CID 17142951
4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 8934923

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-oxo-4-(4-propoxyphenyl)butanamide?
The IUPAC name of N-(3-hydroxypropyl)-4-oxo-4-(4-propoxyphenyl)butanamide (CID 78796002) is N-(3-hydroxypropyl)-4-oxo-4-(4-propoxyphenyl)butanamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-oxo-4-(4-propoxyphenyl)butanamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-oxo-4-(4-propoxyphenyl)butanamide is CCCOc1ccc(C(=O)CCC(=O)NCCCO)cc1.
What is the InChIKey of N-(3-hydroxypropyl)-4-oxo-4-(4-propoxyphenyl)butanamide?
The InChIKey is YXUMVMYXMQBPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-2-12-21-14-6-4-13(5-7-14)15(19)8-9-16(20)17-10-3-11-18/h4-7,18H,2-3,8-12H2,1H3,(H,17,20).
What are the key properties of N-(3-hydroxypropyl)-4-oxo-4-(4-propoxyphenyl)butanamide?
N-(3-hydroxypropyl)-4-oxo-4-(4-propoxyphenyl)butanamide has a molecular weight of 293.36 g/mol, XLogP of 1.94, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-oxo-4-(4-propoxyphenyl)butanamide is sourced from PubChem (CID 78796002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).