N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide

C21H23N3O3 — CID 108956184

IUPACN-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
SMILESCC(=O)c1ccc(NC(=O)CC(=O)Nc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C21H23N3O3/c1-15(25)16-4-6-17(7-5-16)22-20(26)14-21(27)23-18-8-10-19(11-9-18)24-12-2-3-13-24/h4-11H,2-3,12-14H2,1H3,(H,22,26)(H,23,27)
InChIKeyUTRZVUMJUKOSCO-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.46
Rot. Bonds6

About N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide

N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide (PubChem CID 108956184) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
PubChem CID108956184
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
SMILESCC(=O)c1ccc(NC(=O)CC(=O)Nc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C21H23N3O3/c1-15(25)16-4-6-17(7-5-16)22-20(26)14-21(27)23-18-8-10-19(11-9-18)24-12-2-3-13-24/h4-11H,2-3,12-14H2,1H3,(H,22,26)(H,23,27)
InChIKeyUTRZVUMJUKOSCO-UHFFFAOYSA-N
XLogP3.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409479
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108992265
2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 113175689
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176
(E)-N'-(4-acetylphenyl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)but-2-enediamide
CID 110832410
2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 63680073
N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 1142120
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
N-(3-methylbutyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108951836
N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108953051
2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109009876

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide?
The IUPAC name of N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide (CID 108956184) is N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide.
What is the SMILES notation for N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide?
The canonical SMILES for N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide is CC(=O)c1ccc(NC(=O)CC(=O)Nc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide?
The InChIKey is UTRZVUMJUKOSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15(25)16-4-6-17(7-5-16)22-20(26)14-21(27)23-18-8-10-19(11-9-18)24-12-2-3-13-24/h4-11H,2-3,12-14H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide?
N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide has a molecular weight of 365.43 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide is sourced from PubChem (CID 108956184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).