2-(4-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide

C20H24N2O2 — CID 133166686

IUPAC2-(4-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-15-5-11-19(12-6-15)24-16(2)20(23)21-17-7-9-18(10-8-17)22-13-3-4-14-22/h5-12,16H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyVPXWCADFXJRYSE-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.00
Rot. Bonds5

About 2-(4-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide

2-(4-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 133166686) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID133166686
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(4-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-15-5-11-19(12-6-15)24-16(2)20(23)21-17-7-9-18(10-8-17)22-13-3-4-14-22/h5-12,16H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyVPXWCADFXJRYSE-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
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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Related Compounds

(2S)-2-(4-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 30857195
2-(4-bromophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166744
(2S)-2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100506199
(2R)-2-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 8002204
2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 51157992
N-[4-(azepan-1-yl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 18291163
2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 18268297
(2R)-2-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 95077718
(2R)-2-(2,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100504761
(2S)-2-(3,5-dimethoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550636
2-(4-methylphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 43041620
2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166790

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 133166686) is 2-(4-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide is Cc1ccc(OC(C)C(=O)Nc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is VPXWCADFXJRYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-5-11-19(12-6-15)24-16(2)20(23)21-17-7-9-18(10-8-17)22-13-3-4-14-22/h5-12,16H,3-4,13-14H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
2-(4-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 324.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 133166686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).