(8R)-8-[[[(3-chlorophenyl)-cyclopentylmethyl]amino]methyl]-1,3-diazocane-2,4-dione

C19H26ClN3O2 — CID 170578671

IUPAC(8R)-8-[[[(3-chlorophenyl)-cyclopentylmethyl]amino]methyl]-1,3-diazocane-2,4-dione
SMILESO=C1CCC[C@H](CNC(c2cccc(Cl)c2)C2CCCC2)NC(=O)N1
InChIInChI=1S/C19H26ClN3O2/c20-15-8-3-7-14(11-15)18(13-5-1-2-6-13)21-12-16-9-4-10-17(24)23-19(25)22-16/h3,7-8,11,13,16,18,21H,1-2,4-6,9-10,12H2,(H2,22,23,24,25)/t16-,18?/m1/s1
InChIKeyOTZZFWIUDWLKSX-PYUWXLGESA-N
MW363.89 g/mol
LogP3.54
Rot. Bonds5

About (8R)-8-[[[(3-chlorophenyl)-cyclopentylmethyl]amino]methyl]-1,3-diazocane-2,4-dione

(8R)-8-[[[(3-chlorophenyl)-cyclopentylmethyl]amino]methyl]-1,3-diazocane-2,4-dione (PubChem CID 170578671) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is (8R)-8-[[[(3-chlorophenyl)-cyclopentylmethyl]amino]methyl]-1,3-diazocane-2,4-dione.

Molecular Properties

Compound Name(8R)-8-[[[(3-chlorophenyl)-cyclopentylmethyl]amino]methyl]-1,3-diazocane-2,4-dione
PubChem CID170578671
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name(8R)-8-[[[(3-chlorophenyl)-cyclopentylmethyl]amino]methyl]-1,3-diazocane-2,4-dione
SMILESO=C1CCC[C@H](CNC(c2cccc(Cl)c2)C2CCCC2)NC(=O)N1
InChIInChI=1S/C19H26ClN3O2/c20-15-8-3-7-14(11-15)18(13-5-1-2-6-13)21-12-16-9-4-10-17(24)23-19(25)22-16/h3,7-8,11,13,16,18,21H,1-2,4-6,9-10,12H2,(H2,22,23,24,25)/t16-,18?/m1/s1
InChIKeyOTZZFWIUDWLKSX-PYUWXLGESA-N
XLogP3.54
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-[[[(3-chlorophenyl)-cyclopentylmethyl]amino]methyl]-1,3-diazocane-2,4-dione?
The IUPAC name of (8R)-8-[[[(3-chlorophenyl)-cyclopentylmethyl]amino]methyl]-1,3-diazocane-2,4-dione (CID 170578671) is (8R)-8-[[[(3-chlorophenyl)-cyclopentylmethyl]amino]methyl]-1,3-diazocane-2,4-dione.
What is the SMILES notation for (8R)-8-[[[(3-chlorophenyl)-cyclopentylmethyl]amino]methyl]-1,3-diazocane-2,4-dione?
The canonical SMILES for (8R)-8-[[[(3-chlorophenyl)-cyclopentylmethyl]amino]methyl]-1,3-diazocane-2,4-dione is O=C1CCC[C@H](CNC(c2cccc(Cl)c2)C2CCCC2)NC(=O)N1.
What is the InChIKey of (8R)-8-[[[(3-chlorophenyl)-cyclopentylmethyl]amino]methyl]-1,3-diazocane-2,4-dione?
The InChIKey is OTZZFWIUDWLKSX-PYUWXLGESA-N. The full InChI is InChI=1S/C19H26ClN3O2/c20-15-8-3-7-14(11-15)18(13-5-1-2-6-13)21-12-16-9-4-10-17(24)23-19(25)22-16/h3,7-8,11,13,16,18,21H,1-2,4-6,9-10,12H2,(H2,22,23,24,25)/t16-,18?/m1/s1.
What are the key properties of (8R)-8-[[[(3-chlorophenyl)-cyclopentylmethyl]amino]methyl]-1,3-diazocane-2,4-dione?
(8R)-8-[[[(3-chlorophenyl)-cyclopentylmethyl]amino]methyl]-1,3-diazocane-2,4-dione has a molecular weight of 363.89 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-[[[(3-chlorophenyl)-cyclopentylmethyl]amino]methyl]-1,3-diazocane-2,4-dione is sourced from PubChem (CID 170578671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).