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

C22H26N2O3 — CID 58393754

IUPACN-[3-[[2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide
SMILESCO[C@@H]1CCN(C2Cc3ccccc3C2Oc2cccc(NC(C)=O)c2)C1
InChIInChI=1S/C22H26N2O3/c1-15(25)23-17-7-5-8-18(13-17)27-22-20-9-4-3-6-16(20)12-21(22)24-11-10-19(14-24)26-2/h3-9,13,19,21-22H,10-12,14H2,1-2H3,(H,23,25)/t19-,21?,22?/m1/s1
InChIKeyXPNIVBMQJRIIOK-JSRJAPPDSA-N
MW366.46 g/mol
LogP3.41
Rot. Bonds5

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

N-[3-[[2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide (PubChem CID 58393754) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[3-[[2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide
PubChem CID58393754
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[3-[[2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide
SMILESCO[C@@H]1CCN(C2Cc3ccccc3C2Oc2cccc(NC(C)=O)c2)C1
InChIInChI=1S/C22H26N2O3/c1-15(25)23-17-7-5-8-18(13-17)27-22-20-9-4-3-6-16(20)12-21(22)24-11-10-19(14-24)26-2/h3-9,13,19,21-22H,10-12,14H2,1-2H3,(H,23,25)/t19-,21?,22?/m1/s1
InChIKeyXPNIVBMQJRIIOK-JSRJAPPDSA-N
XLogP3.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.41
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-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide?
The IUPAC name of N-[3-[[2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide (CID 58393754) is N-[3-[[2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[[2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide?
The canonical SMILES for N-[3-[[2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide is CO[C@@H]1CCN(C2Cc3ccccc3C2Oc2cccc(NC(C)=O)c2)C1.
What is the InChIKey of N-[3-[[2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide?
The InChIKey is XPNIVBMQJRIIOK-JSRJAPPDSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15(25)23-17-7-5-8-18(13-17)27-22-20-9-4-3-6-16(20)12-21(22)24-11-10-19(14-24)26-2/h3-9,13,19,21-22H,10-12,14H2,1-2H3,(H,23,25)/t19-,21?,22?/m1/s1.
What are the key properties of N-[3-[[2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide?
N-[3-[[2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide has a molecular weight of 366.46 g/mol, XLogP of 3.41, 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-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide is sourced from PubChem (CID 58393754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).