2-pyrrolidin-1-yl-N-[4-[[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]methyl]phenyl]acetamide

C25H32N4O2 — CID 4532985

IUPAC2-pyrrolidin-1-yl-N-[4-[[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]methyl]phenyl]acetamide
SMILESO=C(CN1CCCC1)Nc1ccc(Cc2ccc(NC(=O)CN3CCCC3)cc2)cc1
InChIInChI=1S/C25H32N4O2/c30-24(18-28-13-1-2-14-28)26-22-9-5-20(6-10-22)17-21-7-11-23(12-8-21)27-25(31)19-29-15-3-4-16-29/h5-12H,1-4,13-19H2,(H,26,30)(H,27,31)
InChIKeyYNNKKMKHXXUFLP-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.35
Rot. Bonds8

About 2-pyrrolidin-1-yl-N-[4-[[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]methyl]phenyl]acetamide

2-pyrrolidin-1-yl-N-[4-[[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]methyl]phenyl]acetamide (PubChem CID 4532985) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-[4-[[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-[4-[[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]methyl]phenyl]acetamide
PubChem CID4532985
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name2-pyrrolidin-1-yl-N-[4-[[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]methyl]phenyl]acetamide
SMILESO=C(CN1CCCC1)Nc1ccc(Cc2ccc(NC(=O)CN3CCCC3)cc2)cc1
InChIInChI=1S/C25H32N4O2/c30-24(18-28-13-1-2-14-28)26-22-9-5-20(6-10-22)17-21-7-11-23(12-8-21)27-25(31)19-29-15-3-4-16-29/h5-12H,1-4,13-19H2,(H,26,30)(H,27,31)
InChIKeyYNNKKMKHXXUFLP-UHFFFAOYSA-N
XLogP3.35
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-[4-[[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]methyl]phenyl]acetamide?
The IUPAC name of 2-pyrrolidin-1-yl-N-[4-[[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]methyl]phenyl]acetamide (CID 4532985) is 2-pyrrolidin-1-yl-N-[4-[[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]methyl]phenyl]acetamide.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-[4-[[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]methyl]phenyl]acetamide?
The canonical SMILES for 2-pyrrolidin-1-yl-N-[4-[[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]methyl]phenyl]acetamide is O=C(CN1CCCC1)Nc1ccc(Cc2ccc(NC(=O)CN3CCCC3)cc2)cc1.
What is the InChIKey of 2-pyrrolidin-1-yl-N-[4-[[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]methyl]phenyl]acetamide?
The InChIKey is YNNKKMKHXXUFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c30-24(18-28-13-1-2-14-28)26-22-9-5-20(6-10-22)17-21-7-11-23(12-8-21)27-25(31)19-29-15-3-4-16-29/h5-12H,1-4,13-19H2,(H,26,30)(H,27,31).
What are the key properties of 2-pyrrolidin-1-yl-N-[4-[[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]methyl]phenyl]acetamide?
2-pyrrolidin-1-yl-N-[4-[[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]methyl]phenyl]acetamide has a molecular weight of 420.56 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-[4-[[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]methyl]phenyl]acetamide is sourced from PubChem (CID 4532985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).