3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide

C23H30N4O — CID 109041751

IUPAC3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCNc1ccc(N2CCCC2)cc1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C23H30N4O/c28-23(25-20-7-11-22(12-8-20)27-17-3-4-18-27)13-14-24-19-5-9-21(10-6-19)26-15-1-2-16-26/h5-12,24H,1-4,13-18H2,(H,25,28)
InChIKeyZNOGDGVIPMVLOW-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.33
Rot. Bonds7

About 3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide

3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 109041751) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID109041751
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCNc1ccc(N2CCCC2)cc1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C23H30N4O/c28-23(25-20-7-11-22(12-8-20)27-17-3-4-18-27)13-14-24-19-5-9-21(10-6-19)26-15-1-2-16-26/h5-12,24H,1-4,13-18H2,(H,25,28)
InChIKeyZNOGDGVIPMVLOW-UHFFFAOYSA-N
XLogP4.33
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109033848
N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037669
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849
methyl 4-[3-(4-pyrrolidin-1-ylanilino)propanoylamino]benzoate
CID 109041473
3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041778
methyl 4-[[3-oxo-3-(4-piperidin-1-ylanilino)propyl]amino]benzoate
CID 109041517
3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109040218
N-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041798
N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037829
3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109034292
3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109041251

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 109041751) is 3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide is O=C(CCNc1ccc(N2CCCC2)cc1)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is ZNOGDGVIPMVLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c28-23(25-20-7-11-22(12-8-20)27-17-3-4-18-27)13-14-24-19-5-9-21(10-6-19)26-15-1-2-16-26/h5-12,24H,1-4,13-18H2,(H,25,28).
What are the key properties of 3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 378.52 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 109041751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).