2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide

C25H32N2O3 — CID 122484443

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide
SMILESCOc1ccc([C@@H](O)[C@@H](CN2CCCC2)NC(=O)CC2Cc3ccccc3C2)cc1
InChIInChI=1S/C25H32N2O3/c1-30-22-10-8-19(9-11-22)25(29)23(17-27-12-4-5-13-27)26-24(28)16-18-14-20-6-2-3-7-21(20)15-18/h2-3,6-11,18,23,25,29H,4-5,12-17H2,1H3,(H,26,28)/t23-,25-/m1/s1
InChIKeyHRYHALOFOOKSHN-ILBGXUMGSA-N
MW408.54 g/mol
LogP3.11
Rot. Bonds8

About 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide

2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide (PubChem CID 122484443) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide
PubChem CID122484443
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide
SMILESCOc1ccc([C@@H](O)[C@@H](CN2CCCC2)NC(=O)CC2Cc3ccccc3C2)cc1
InChIInChI=1S/C25H32N2O3/c1-30-22-10-8-19(9-11-22)25(29)23(17-27-12-4-5-13-27)26-24(28)16-18-14-20-6-2-3-7-21(20)15-18/h2-3,6-11,18,23,25,29H,4-5,12-17H2,1H3,(H,26,28)/t23-,25-/m1/s1
InChIKeyHRYHALOFOOKSHN-ILBGXUMGSA-N
XLogP3.11
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide (CID 122484443) is 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide is COc1ccc([C@@H](O)[C@@H](CN2CCCC2)NC(=O)CC2Cc3ccccc3C2)cc1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide?
The InChIKey is HRYHALOFOOKSHN-ILBGXUMGSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-30-22-10-8-19(9-11-22)25(29)23(17-27-12-4-5-13-27)26-24(28)16-18-14-20-6-2-3-7-21(20)15-18/h2-3,6-11,18,23,25,29H,4-5,12-17H2,1H3,(H,26,28)/t23-,25-/m1/s1.
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide?
2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide has a molecular weight of 408.54 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide is sourced from PubChem (CID 122484443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).