4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide

C18H20N2O2 — CID 960708

IUPAC4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C18H20N2O2/c1-22-17-10-4-14(5-11-17)18(21)19-15-6-8-16(9-7-15)20-12-2-3-13-20/h4-11H,2-3,12-13H2,1H3,(H,19,21)
InChIKeyRMMDQOQXWCCGDH-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.55
Rot. Bonds4

About 4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide

4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 960708) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID960708
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C18H20N2O2/c1-22-17-10-4-14(5-11-17)18(21)19-15-6-8-16(9-7-15)20-12-2-3-13-20/h4-11H,2-3,12-13H2,1H3,(H,19,21)
InChIKeyRMMDQOQXWCCGDH-UHFFFAOYSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide 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

Encainide
CID 48041
Encainide Hydrochloride
CID 48040
3-Amino-4-methoxybenzanilide
CID 8426
4-Methoxy-N-(4-methoxyphenyl)benzamide
CID 346815
N-(4-methoxyphenyl)-4-methylbenzamide
CID 531829
VU0357121
CID 2296132
4-Methoxy-N-phenylbenzohydroxamic acid
CID 777378
N-(2-Aminophenyl)-4-methoxybenzamide
CID 785232
N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
4-Methoxy-N-(3-methylphenyl)benzamide
CID 346046
4-methoxy-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide
CID 3154679
3-(4-Fluoroanilino)-1-(4-methoxyphenyl)-1-propanone
CID 930491

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide (CID 960708) is 4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide is COc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is RMMDQOQXWCCGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-22-17-10-4-14(5-11-17)18(21)19-15-6-8-16(9-7-15)20-12-2-3-13-20/h4-11H,2-3,12-13H2,1H3,(H,19,21).
What are the key properties of 4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 296.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 960708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).