(6S,7R)-1-amino-10-(4-methoxyphenyl)-7-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione

C22H23N3O3 — CID 137326957

IUPAC(6S,7R)-1-amino-10-(4-methoxyphenyl)-7-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione
SMILESCOc1ccc(C2CC(=O)[C@H](C)[C@@H](c3ccccc3)C23C(=O)NN=C3N)cc1
InChIInChI=1S/C22H23N3O3/c1-13-18(26)12-17(14-8-10-16(28-2)11-9-14)22(20(23)24-25-21(22)27)19(13)15-6-4-3-5-7-15/h3-11,13,17,19H,12H2,1-2H3,(H2,23,24)(H,25,27)/t13-,17?,19-,22?/m0/s1
InChIKeyJHNPVZIFRPEOGX-RPZDSXERSA-N
MW377.44 g/mol
LogP2.56
Rot. Bonds3

About (6S,7R)-1-amino-10-(4-methoxyphenyl)-7-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione

(6S,7R)-1-amino-10-(4-methoxyphenyl)-7-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione (PubChem CID 137326957) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (6S,7R)-1-amino-10-(4-methoxyphenyl)-7-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione.

Molecular Properties

Compound Name(6S,7R)-1-amino-10-(4-methoxyphenyl)-7-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione
PubChem CID137326957
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(6S,7R)-1-amino-10-(4-methoxyphenyl)-7-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione
SMILESCOc1ccc(C2CC(=O)[C@H](C)[C@@H](c3ccccc3)C23C(=O)NN=C3N)cc1
InChIInChI=1S/C22H23N3O3/c1-13-18(26)12-17(14-8-10-16(28-2)11-9-14)22(20(23)24-25-21(22)27)19(13)15-6-4-3-5-7-15/h3-11,13,17,19H,12H2,1-2H3,(H2,23,24)(H,25,27)/t13-,17?,19-,22?/m0/s1
InChIKeyJHNPVZIFRPEOGX-RPZDSXERSA-N
XLogP2.56
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S,7R)-1-amino-10-(4-methoxyphenyl)-7-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione?
The IUPAC name of (6S,7R)-1-amino-10-(4-methoxyphenyl)-7-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione (CID 137326957) is (6S,7R)-1-amino-10-(4-methoxyphenyl)-7-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione.
What is the SMILES notation for (6S,7R)-1-amino-10-(4-methoxyphenyl)-7-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione?
The canonical SMILES for (6S,7R)-1-amino-10-(4-methoxyphenyl)-7-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione is COc1ccc(C2CC(=O)[C@H](C)[C@@H](c3ccccc3)C23C(=O)NN=C3N)cc1.
What is the InChIKey of (6S,7R)-1-amino-10-(4-methoxyphenyl)-7-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione?
The InChIKey is JHNPVZIFRPEOGX-RPZDSXERSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-13-18(26)12-17(14-8-10-16(28-2)11-9-14)22(20(23)24-25-21(22)27)19(13)15-6-4-3-5-7-15/h3-11,13,17,19H,12H2,1-2H3,(H2,23,24)(H,25,27)/t13-,17?,19-,22?/m0/s1.
What are the key properties of (6S,7R)-1-amino-10-(4-methoxyphenyl)-7-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione?
(6S,7R)-1-amino-10-(4-methoxyphenyl)-7-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione has a molecular weight of 377.44 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R)-1-amino-10-(4-methoxyphenyl)-7-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione is sourced from PubChem (CID 137326957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).