N-[3-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide

C25H31N3O2 — CID 58393863

IUPACN-[3-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OC2c3ccccc3CC2N2CC[C@@H](N3CCCC3)C2)c1
InChIInChI=1S/C25H31N3O2/c1-18(29)26-20-8-6-9-22(16-20)30-25-23-10-3-2-7-19(23)15-24(25)28-14-11-21(17-28)27-12-4-5-13-27/h2-3,6-10,16,21,24-25H,4-5,11-15,17H2,1H3,(H,26,29)/t21-,24?,25?/m1/s1
InChIKeyVISYZYXIVSSJSW-BURHJUHKSA-N
MW405.54 g/mol
LogP3.86
Rot. Bonds5

About N-[3-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide

N-[3-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide (PubChem CID 58393863) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[3-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide
PubChem CID58393863
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-[3-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OC2c3ccccc3CC2N2CC[C@@H](N3CCCC3)C2)c1
InChIInChI=1S/C25H31N3O2/c1-18(29)26-20-8-6-9-22(16-20)30-25-23-10-3-2-7-19(23)15-24(25)28-14-11-21(17-28)27-12-4-5-13-27/h2-3,6-10,16,21,24-25H,4-5,11-15,17H2,1H3,(H,26,29)/t21-,24?,25?/m1/s1
InChIKeyVISYZYXIVSSJSW-BURHJUHKSA-N
XLogP3.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide?
The IUPAC name of N-[3-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide (CID 58393863) is N-[3-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide?
The canonical SMILES for N-[3-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide is CC(=O)Nc1cccc(OC2c3ccccc3CC2N2CC[C@@H](N3CCCC3)C2)c1.
What is the InChIKey of N-[3-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide?
The InChIKey is VISYZYXIVSSJSW-BURHJUHKSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-18(29)26-20-8-6-9-22(16-20)30-25-23-10-3-2-7-19(23)15-24(25)28-14-11-21(17-28)27-12-4-5-13-27/h2-3,6-10,16,21,24-25H,4-5,11-15,17H2,1H3,(H,26,29)/t21-,24?,25?/m1/s1.
What are the key properties of N-[3-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide?
N-[3-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide has a molecular weight of 405.54 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide is sourced from PubChem (CID 58393863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).