3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

C22H26N2O2 — CID 50964443

IUPAC3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(Nc1cccc2c1CCCC2)c1cccc(CN2CC[C@H](O)C2)c1
InChIInChI=1S/C22H26N2O2/c25-19-11-12-24(15-19)14-16-5-3-8-18(13-16)22(26)23-21-10-4-7-17-6-1-2-9-20(17)21/h3-5,7-8,10,13,19,25H,1-2,6,9,11-12,14-15H2,(H,23,26)/t19-/m0/s1
InChIKeyAQCDFXDONXUPGG-IBGZPJMESA-N
MW350.46 g/mol
LogP3.38
Rot. Bonds4

About 3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 50964443) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
PubChem CID50964443
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(Nc1cccc2c1CCCC2)c1cccc(CN2CC[C@H](O)C2)c1
InChIInChI=1S/C22H26N2O2/c25-19-11-12-24(15-19)14-16-5-3-8-18(13-16)22(26)23-21-10-4-7-17-6-1-2-9-20(17)21/h3-5,7-8,10,13,19,25H,1-2,6,9,11-12,14-15H2,(H,23,26)/t19-/m0/s1
InChIKeyAQCDFXDONXUPGG-IBGZPJMESA-N
XLogP3.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (CID 50964443) is 3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is O=C(Nc1cccc2c1CCCC2)c1cccc(CN2CC[C@H](O)C2)c1.
What is the InChIKey of 3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is AQCDFXDONXUPGG-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N2O2/c25-19-11-12-24(15-19)14-16-5-3-8-18(13-16)22(26)23-21-10-4-7-17-6-1-2-9-20(17)21/h3-5,7-8,10,13,19,25H,1-2,6,9,11-12,14-15H2,(H,23,26)/t19-/m0/s1.
What are the key properties of 3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 350.46 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 50964443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).