4-propan-2-yloxy-N-(4-pyrrolidin-1-ylphenyl)benzamide

C20H24N2O2 — CID 807479

IUPAC4-propan-2-yloxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-15(2)24-19-11-5-16(6-12-19)20(23)21-17-7-9-18(10-8-17)22-13-3-4-14-22/h5-12,15H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyMOKVTKRDFRFAKU-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.33
Rot. Bonds5

About 4-propan-2-yloxy-N-(4-pyrrolidin-1-ylphenyl)benzamide

4-propan-2-yloxy-N-(4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 807479) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-(4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID807479
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-propan-2-yloxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-15(2)24-19-11-5-16(6-12-19)20(23)21-17-7-9-18(10-8-17)22-13-3-4-14-22/h5-12,15H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyMOKVTKRDFRFAKU-UHFFFAOYSA-N
XLogP4.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 4-propan-2-yloxy-N-(4-pyrrolidin-1-ylphenyl)benzamide (CID 807479) is 4-propan-2-yloxy-N-(4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-propan-2-yloxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-propan-2-yloxy-N-(4-pyrrolidin-1-ylphenyl)benzamide is CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is MOKVTKRDFRFAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15(2)24-19-11-5-16(6-12-19)20(23)21-17-7-9-18(10-8-17)22-13-3-4-14-22/h5-12,15H,3-4,13-14H2,1-2H3,(H,21,23).
What are the key properties of 4-propan-2-yloxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
4-propan-2-yloxy-N-(4-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 324.42 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-(4-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 807479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).