N-(4-acetylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide

C20H22N2O2 — CID 110409479

IUPACN-(4-acetylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C20H22N2O2/c1-15(23)17-6-8-18(9-7-17)21-20(24)14-16-4-10-19(11-5-16)22-12-2-3-13-22/h4-11H,2-3,12-14H2,1H3,(H,21,24)
InChIKeyGQVDIXRVZAYEHV-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.67
Rot. Bonds5

About N-(4-acetylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide

N-(4-acetylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 110409479) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID110409479
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-(4-acetylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C20H22N2O2/c1-15(23)17-6-8-18(9-7-17)21-20(24)14-16-4-10-19(11-5-16)22-12-2-3-13-22/h4-11H,2-3,12-14H2,1H3,(H,21,24)
InChIKeyGQVDIXRVZAYEHV-UHFFFAOYSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108956184
methyl 4-[[2-(4-piperidin-1-ylphenyl)acetyl]amino]benzoate
CID 110409606
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 112985752
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108992265
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide
CID 110650708
2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 113175689
N-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110649572
methyl 4-[3-(4-pyrrolidin-1-ylphenyl)propanoylamino]benzoate
CID 110650646
N-[4-(cyclopropanecarbonyl)phenyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110612773
N-(4-ethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282362

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide (CID 110409479) is N-(4-acetylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide is CC(=O)c1ccc(NC(=O)Cc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is GQVDIXRVZAYEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15(23)17-6-8-18(9-7-17)21-20(24)14-16-4-10-19(11-5-16)22-12-2-3-13-22/h4-11H,2-3,12-14H2,1H3,(H,21,24).
What are the key properties of N-(4-acetylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide?
N-(4-acetylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 110409479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).