(5S)-N-(2-chlorophenyl)-7-(2,2-dimethylpropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

C20H28ClN3O2 — CID 95707934

IUPAC(5S)-N-(2-chlorophenyl)-7-(2,2-dimethylpropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESCC(C)(C)CN1CCC[C@@]2(CCN(C(=O)Nc3ccccc3Cl)C2)C1=O
InChIInChI=1S/C20H28ClN3O2/c1-19(2,3)13-23-11-6-9-20(17(23)25)10-12-24(14-20)18(26)22-16-8-5-4-7-15(16)21/h4-5,7-8H,6,9-14H2,1-3H3,(H,22,26)/t20-/m0/s1
InChIKeyZPWSGIUYUOWIMH-FQEVSTJZSA-N
MW377.92 g/mol
LogP4.23
Rot. Bonds2

About (5S)-N-(2-chlorophenyl)-7-(2,2-dimethylpropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

(5S)-N-(2-chlorophenyl)-7-(2,2-dimethylpropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 95707934) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is (5S)-N-(2-chlorophenyl)-7-(2,2-dimethylpropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5S)-N-(2-chlorophenyl)-7-(2,2-dimethylpropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
PubChem CID95707934
Molecular FormulaC20H28ClN3O2
Molecular Weight377.92 g/mol
Exact Mass377.19
IUPAC Name(5S)-N-(2-chlorophenyl)-7-(2,2-dimethylpropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESCC(C)(C)CN1CCC[C@@]2(CCN(C(=O)Nc3ccccc3Cl)C2)C1=O
InChIInChI=1S/C20H28ClN3O2/c1-19(2,3)13-23-11-6-9-20(17(23)25)10-12-24(14-20)18(26)22-16-8-5-4-7-15(16)21/h4-5,7-8H,6,9-14H2,1-3H3,(H,22,26)/t20-/m0/s1
InChIKeyZPWSGIUYUOWIMH-FQEVSTJZSA-N
XLogP4.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-(2-chlorophenyl)-7-(2,2-dimethylpropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5S)-N-(2-chlorophenyl)-7-(2,2-dimethylpropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide (CID 95707934) is (5S)-N-(2-chlorophenyl)-7-(2,2-dimethylpropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5S)-N-(2-chlorophenyl)-7-(2,2-dimethylpropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5S)-N-(2-chlorophenyl)-7-(2,2-dimethylpropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide is CC(C)(C)CN1CCC[C@@]2(CCN(C(=O)Nc3ccccc3Cl)C2)C1=O.
What is the InChIKey of (5S)-N-(2-chlorophenyl)-7-(2,2-dimethylpropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is ZPWSGIUYUOWIMH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H28ClN3O2/c1-19(2,3)13-23-11-6-9-20(17(23)25)10-12-24(14-20)18(26)22-16-8-5-4-7-15(16)21/h4-5,7-8H,6,9-14H2,1-3H3,(H,22,26)/t20-/m0/s1.
What are the key properties of (5S)-N-(2-chlorophenyl)-7-(2,2-dimethylpropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
(5S)-N-(2-chlorophenyl)-7-(2,2-dimethylpropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 377.92 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(2-chlorophenyl)-7-(2,2-dimethylpropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 95707934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).