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

C24H30N4O3 — CID 647483

IUPAC2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
SMILESO=C(CN1CCCC1)Nc1ccc(Oc2ccc(NC(=O)CN3CCCC3)cc2)cc1
InChIInChI=1S/C24H30N4O3/c29-23(17-27-13-1-2-14-27)25-19-5-9-21(10-6-19)31-22-11-7-20(8-12-22)26-24(30)18-28-15-3-4-16-28/h5-12H,1-4,13-18H2,(H,25,29)(H,26,30)
InChIKeyTYFPXMFXJNYUAA-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.55
Rot. Bonds8

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

2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide (PubChem CID 647483) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
PubChem CID647483
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
SMILESO=C(CN1CCCC1)Nc1ccc(Oc2ccc(NC(=O)CN3CCCC3)cc2)cc1
InChIInChI=1S/C24H30N4O3/c29-23(17-27-13-1-2-14-27)25-19-5-9-21(10-6-19)31-22-11-7-20(8-12-22)26-24(30)18-28-15-3-4-16-28/h5-12H,1-4,13-18H2,(H,25,29)(H,26,30)
InChIKeyTYFPXMFXJNYUAA-UHFFFAOYSA-N
XLogP3.55
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
N-[4-(4-chlorophenoxy)phenyl]-2-piperidin-1-ylacetamide;oxalic acid
CID 71374350
2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 31477023
2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54814562
N-[4-(4-methylphenoxy)phenyl]-2-morpholin-4-ylacetamide
CID 8903812
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]sulfanylphenyl]acetamide
CID 53323507
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
methyl 4-[(2-pyrrolidin-1-ylacetyl)amino]benzoate
CID 558416
methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 566860
2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 9223614
2-(azepan-1-yl)-N-(4-heptoxyphenyl)acetamide
CID 54814498
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide?
The IUPAC name of 2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide (CID 647483) is 2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide?
The canonical SMILES for 2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide is O=C(CN1CCCC1)Nc1ccc(Oc2ccc(NC(=O)CN3CCCC3)cc2)cc1.
What is the InChIKey of 2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide?
The InChIKey is TYFPXMFXJNYUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c29-23(17-27-13-1-2-14-27)25-19-5-9-21(10-6-19)31-22-11-7-20(8-12-22)26-24(30)18-28-15-3-4-16-28/h5-12H,1-4,13-18H2,(H,25,29)(H,26,30).
What are the key properties of 2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide?
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide has a molecular weight of 422.53 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide is sourced from PubChem (CID 647483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).