N-(4-morpholin-4-ylphenyl)-4-propan-2-ylbenzamide

C20H24N2O2 — CID 738877

IUPACN-(4-morpholin-4-ylphenyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-15(2)16-3-5-17(6-4-16)20(23)21-18-7-9-19(10-8-18)22-11-13-24-14-12-22/h3-10,15H,11-14H2,1-2H3,(H,21,23)
InChIKeyPZKJUGMBJJRQKJ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.90
Rot. Bonds4

About N-(4-morpholin-4-ylphenyl)-4-propan-2-ylbenzamide

N-(4-morpholin-4-ylphenyl)-4-propan-2-ylbenzamide (PubChem CID 738877) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-4-propan-2-ylbenzamide
PubChem CID738877
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(4-morpholin-4-ylphenyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-15(2)16-3-5-17(6-4-16)20(23)21-18-7-9-19(10-8-18)22-11-13-24-14-12-22/h3-10,15H,11-14H2,1-2H3,(H,21,23)
InChIKeyPZKJUGMBJJRQKJ-UHFFFAOYSA-N
XLogP3.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.90
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 N-(4-morpholin-4-ylphenyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-4-propan-2-ylbenzamide (CID 738877) is N-(4-morpholin-4-ylphenyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-4-propan-2-ylbenzamide?
The InChIKey is PZKJUGMBJJRQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15(2)16-3-5-17(6-4-16)20(23)21-18-7-9-19(10-8-18)22-11-13-24-14-12-22/h3-10,15H,11-14H2,1-2H3,(H,21,23).
What are the key properties of N-(4-morpholin-4-ylphenyl)-4-propan-2-ylbenzamide?
N-(4-morpholin-4-ylphenyl)-4-propan-2-ylbenzamide has a molecular weight of 324.42 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 738877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).