N-[(4-pyrrolidin-1-ylphenyl)methyl]-2-(4-pyrrol-1-ylphenyl)acetamide

C23H25N3O — CID 35619356

IUPACN-[(4-pyrrolidin-1-ylphenyl)methyl]-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-n2cccc2)cc1)NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C23H25N3O/c27-23(17-19-5-9-21(10-6-19)25-13-1-2-14-25)24-18-20-7-11-22(12-8-20)26-15-3-4-16-26/h1-2,5-14H,3-4,15-18H2,(H,24,27)
InChIKeyZKRGKIRXELJELP-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.94
Rot. Bonds6

About N-[(4-pyrrolidin-1-ylphenyl)methyl]-2-(4-pyrrol-1-ylphenyl)acetamide

N-[(4-pyrrolidin-1-ylphenyl)methyl]-2-(4-pyrrol-1-ylphenyl)acetamide (PubChem CID 35619356) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[(4-pyrrolidin-1-ylphenyl)methyl]-2-(4-pyrrol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[(4-pyrrolidin-1-ylphenyl)methyl]-2-(4-pyrrol-1-ylphenyl)acetamide
PubChem CID35619356
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-[(4-pyrrolidin-1-ylphenyl)methyl]-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-n2cccc2)cc1)NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C23H25N3O/c27-23(17-19-5-9-21(10-6-19)25-13-1-2-14-25)24-18-20-7-11-22(12-8-20)26-15-3-4-16-26/h1-2,5-14H,3-4,15-18H2,(H,24,27)
InChIKeyZKRGKIRXELJELP-UHFFFAOYSA-N
XLogP3.94
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.94
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

2-(4-pyrrol-1-ylphenyl)-N-[(4-thiomorpholin-4-ylphenyl)methyl]acetamide
CID 55854175
2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110648315
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 55615606
N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110648111
2-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 110648259
N-prop-2-ynyl-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46407605
N-(cyclohexylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 43071662
2-(3,4-dimethoxyphenyl)-N-[(4-pyrrol-1-ylphenyl)methyl]acetamide
CID 5300696
2-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]acetohydrazide
CID 44539373
2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 16890076
2-(4-fluorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 50945079
3-(3,4-difluorophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 35619171

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrrolidin-1-ylphenyl)methyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
The IUPAC name of N-[(4-pyrrolidin-1-ylphenyl)methyl]-2-(4-pyrrol-1-ylphenyl)acetamide (CID 35619356) is N-[(4-pyrrolidin-1-ylphenyl)methyl]-2-(4-pyrrol-1-ylphenyl)acetamide.
What is the SMILES notation for N-[(4-pyrrolidin-1-ylphenyl)methyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
The canonical SMILES for N-[(4-pyrrolidin-1-ylphenyl)methyl]-2-(4-pyrrol-1-ylphenyl)acetamide is O=C(Cc1ccc(-n2cccc2)cc1)NCc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-[(4-pyrrolidin-1-ylphenyl)methyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
The InChIKey is ZKRGKIRXELJELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c27-23(17-19-5-9-21(10-6-19)25-13-1-2-14-25)24-18-20-7-11-22(12-8-20)26-15-3-4-16-26/h1-2,5-14H,3-4,15-18H2,(H,24,27).
What are the key properties of N-[(4-pyrrolidin-1-ylphenyl)methyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
N-[(4-pyrrolidin-1-ylphenyl)methyl]-2-(4-pyrrol-1-ylphenyl)acetamide has a molecular weight of 359.47 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrrolidin-1-ylphenyl)methyl]-2-(4-pyrrol-1-ylphenyl)acetamide is sourced from PubChem (CID 35619356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).