2-[benzyl(methyl)amino]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1,3-dihydroindene-2-carboxamide

C22H27N3O2 — CID 56897389

IUPAC2-[benzyl(methyl)amino]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1,3-dihydroindene-2-carboxamide
SMILESCN(Cc1ccccc1)C1(C(=O)N[C@@H]2CNC[C@H]2O)Cc2ccccc2C1
InChIInChI=1S/C22H27N3O2/c1-25(15-16-7-3-2-4-8-16)22(11-17-9-5-6-10-18(17)12-22)21(27)24-19-13-23-14-20(19)26/h2-10,19-20,23,26H,11-15H2,1H3,(H,24,27)/t19-,20-/m1/s1
InChIKeyTVNSXISRTSTAND-WOJBJXKFSA-N
MW365.48 g/mol
LogP1.10
Rot. Bonds5

About 2-[benzyl(methyl)amino]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1,3-dihydroindene-2-carboxamide

2-[benzyl(methyl)amino]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1,3-dihydroindene-2-carboxamide (PubChem CID 56897389) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1,3-dihydroindene-2-carboxamide
PubChem CID56897389
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-[benzyl(methyl)amino]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1,3-dihydroindene-2-carboxamide
SMILESCN(Cc1ccccc1)C1(C(=O)N[C@@H]2CNC[C@H]2O)Cc2ccccc2C1
InChIInChI=1S/C22H27N3O2/c1-25(15-16-7-3-2-4-8-16)22(11-17-9-5-6-10-18(17)12-22)21(27)24-19-13-23-14-20(19)26/h2-10,19-20,23,26H,11-15H2,1H3,(H,24,27)/t19-,20-/m1/s1
InChIKeyTVNSXISRTSTAND-WOJBJXKFSA-N
XLogP1.10
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1,3-dihydroindene-2-carboxamide (CID 56897389) is 2-[benzyl(methyl)amino]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1,3-dihydroindene-2-carboxamide is CN(Cc1ccccc1)C1(C(=O)N[C@@H]2CNC[C@H]2O)Cc2ccccc2C1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1,3-dihydroindene-2-carboxamide?
The InChIKey is TVNSXISRTSTAND-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-25(15-16-7-3-2-4-8-16)22(11-17-9-5-6-10-18(17)12-22)21(27)24-19-13-23-14-20(19)26/h2-10,19-20,23,26H,11-15H2,1H3,(H,24,27)/t19-,20-/m1/s1.
What are the key properties of 2-[benzyl(methyl)amino]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1,3-dihydroindene-2-carboxamide?
2-[benzyl(methyl)amino]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1,3-dihydroindene-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 56897389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).