phenyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate

C19H27N3O3 — CID 3233820

IUPACphenyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCC(C)NC(=O)N1CC[C@@]2(CCCN(C(=O)Oc3ccccc3)C2)C1
InChIInChI=1S/C19H27N3O3/c1-15(2)20-17(23)21-12-10-19(13-21)9-6-11-22(14-19)18(24)25-16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3,(H,20,23)/t19-/m0/s1
InChIKeyKXEFSXCMGCQBGR-IBGZPJMESA-N
MW345.44 g/mol
LogP3.09
Rot. Bonds2

About phenyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate

phenyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate (PubChem CID 3233820) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is phenyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Namephenyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate
PubChem CID3233820
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Namephenyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCC(C)NC(=O)N1CC[C@@]2(CCCN(C(=O)Oc3ccccc3)C2)C1
InChIInChI=1S/C19H27N3O3/c1-15(2)20-17(23)21-12-10-19(13-21)9-6-11-22(14-19)18(24)25-16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3,(H,20,23)/t19-/m0/s1
InChIKeyKXEFSXCMGCQBGR-IBGZPJMESA-N
XLogP3.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate?
The IUPAC name of phenyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate (CID 3233820) is phenyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for phenyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for phenyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate is CC(C)NC(=O)N1CC[C@@]2(CCCN(C(=O)Oc3ccccc3)C2)C1.
What is the InChIKey of phenyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate?
The InChIKey is KXEFSXCMGCQBGR-IBGZPJMESA-N. The full InChI is InChI=1S/C19H27N3O3/c1-15(2)20-17(23)21-12-10-19(13-21)9-6-11-22(14-19)18(24)25-16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3,(H,20,23)/t19-/m0/s1.
What are the key properties of phenyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate?
phenyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate has a molecular weight of 345.44 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 3233820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).