(8R)-7-(2-benzoylbenzoyl)-3-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide

C32H29N5O6 — CID 16681836

IUPAC(8R)-7-(2-benzoylbenzoyl)-3-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide
SMILESNC(=O)[C@H]1CC2(CC(c3cccc(NC(=O)[C@H]4CCC(=O)N4)c3)=NO2)CN1C(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C32H29N5O6/c33-29(40)26-17-32(18-37(26)31(42)23-12-5-4-11-22(23)28(39)19-7-2-1-3-8-19)16-25(36-43-32)20-9-6-10-21(15-20)34-30(41)24-13-14-27(38)35-24/h1-12,15,24,26H,13-14,16-18H2,(H2,33,40)(H,34,41)(H,35,38)/t24-,26-,32?/m1/s1
InChIKeyBIHONONGGOJMKC-BFCXPHNGSA-N
MW579.61 g/mol
LogP2.40
Rot. Bonds7

About (8R)-7-(2-benzoylbenzoyl)-3-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide

(8R)-7-(2-benzoylbenzoyl)-3-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide (PubChem CID 16681836) has the molecular formula C32H29N5O6 and a molecular weight of 579.61 g/mol. Its IUPAC name is (8R)-7-(2-benzoylbenzoyl)-3-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide.

Molecular Properties

Compound Name(8R)-7-(2-benzoylbenzoyl)-3-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide
PubChem CID16681836
Molecular FormulaC32H29N5O6
Molecular Weight579.61 g/mol
Exact Mass579.21
IUPAC Name(8R)-7-(2-benzoylbenzoyl)-3-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide
SMILESNC(=O)[C@H]1CC2(CC(c3cccc(NC(=O)[C@H]4CCC(=O)N4)c3)=NO2)CN1C(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C32H29N5O6/c33-29(40)26-17-32(18-37(26)31(42)23-12-5-4-11-22(23)28(39)19-7-2-1-3-8-19)16-25(36-43-32)20-9-6-10-21(15-20)34-30(41)24-13-14-27(38)35-24/h1-12,15,24,26H,13-14,16-18H2,(H2,33,40)(H,34,41)(H,35,38)/t24-,26-,32?/m1/s1
InChIKeyBIHONONGGOJMKC-BFCXPHNGSA-N
XLogP2.40
TPSA160.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.61
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (8R)-7-(2-benzoylbenzoyl)-3-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide?
The IUPAC name of (8R)-7-(2-benzoylbenzoyl)-3-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide (CID 16681836) is (8R)-7-(2-benzoylbenzoyl)-3-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide.
What is the SMILES notation for (8R)-7-(2-benzoylbenzoyl)-3-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide?
The canonical SMILES for (8R)-7-(2-benzoylbenzoyl)-3-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide is NC(=O)[C@H]1CC2(CC(c3cccc(NC(=O)[C@H]4CCC(=O)N4)c3)=NO2)CN1C(=O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of (8R)-7-(2-benzoylbenzoyl)-3-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide?
The InChIKey is BIHONONGGOJMKC-BFCXPHNGSA-N. The full InChI is InChI=1S/C32H29N5O6/c33-29(40)26-17-32(18-37(26)31(42)23-12-5-4-11-22(23)28(39)19-7-2-1-3-8-19)16-25(36-43-32)20-9-6-10-21(15-20)34-30(41)24-13-14-27(38)35-24/h1-12,15,24,26H,13-14,16-18H2,(H2,33,40)(H,34,41)(H,35,38)/t24-,26-,32?/m1/s1.
What are the key properties of (8R)-7-(2-benzoylbenzoyl)-3-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide?
(8R)-7-(2-benzoylbenzoyl)-3-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide has a molecular weight of 579.61 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-7-(2-benzoylbenzoyl)-3-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide is sourced from PubChem (CID 16681836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).