(8R)-7-[2-(4-nitrophenyl)acetyl]-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide

C24H25N5O6 — CID 16682060

IUPAC(8R)-7-[2-(4-nitrophenyl)acetyl]-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide
SMILESCCC(=O)Nc1cccc(C2=NOC3(C2)C[C@H](C(N)=O)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)C3)c1
InChIInChI=1S/C24H25N5O6/c1-2-21(30)26-17-5-3-4-16(11-17)19-12-24(35-27-19)13-20(23(25)32)28(14-24)22(31)10-15-6-8-18(9-7-15)29(33)34/h3-9,11,20H,2,10,12-14H2,1H3,(H2,25,32)(H,26,30)/t20-,24?/m1/s1
InChIKeyMSOSVQDRUDCRMR-CGHJUBPDSA-N
MW479.49 g/mol
LogP2.14
Rot. Bonds7

About (8R)-7-[2-(4-nitrophenyl)acetyl]-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide

(8R)-7-[2-(4-nitrophenyl)acetyl]-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide (PubChem CID 16682060) has the molecular formula C24H25N5O6 and a molecular weight of 479.49 g/mol. Its IUPAC name is (8R)-7-[2-(4-nitrophenyl)acetyl]-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide.

Molecular Properties

Compound Name(8R)-7-[2-(4-nitrophenyl)acetyl]-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide
PubChem CID16682060
Molecular FormulaC24H25N5O6
Molecular Weight479.49 g/mol
Exact Mass479.18
IUPAC Name(8R)-7-[2-(4-nitrophenyl)acetyl]-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide
SMILESCCC(=O)Nc1cccc(C2=NOC3(C2)C[C@H](C(N)=O)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)C3)c1
InChIInChI=1S/C24H25N5O6/c1-2-21(30)26-17-5-3-4-16(11-17)19-12-24(35-27-19)13-20(23(25)32)28(14-24)22(31)10-15-6-8-18(9-7-15)29(33)34/h3-9,11,20H,2,10,12-14H2,1H3,(H2,25,32)(H,26,30)/t20-,24?/m1/s1
InChIKeyMSOSVQDRUDCRMR-CGHJUBPDSA-N
XLogP2.14
TPSA157.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-hexanoyl-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide
CID 73307419
(8S)-7-(2,2-diphenylacetyl)-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide
CID 16681897
(8S)-7-[(E)-2-methylbut-2-enoyl]-3-[3-(2-methylprop-2-enoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide
CID 16681884
(8S)-7-[(2E,4Z)-hexa-2,4-dienoyl]-3-[3-[[(Z)-2-methylbut-2-enoyl]amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide
CID 16681881
(8R)-7-(4-chlorobenzoyl)-3-[3-[[(Z)-2-methylbut-2-enoyl]amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide
CID 16681905
(8R)-7-(2-benzoylbenzoyl)-3-[3-[[(E)-but-2-enoyl]amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide
CID 16745483
7-[2-(4-chlorophenoxy)acetyl]-3-[3-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide
CID 73307447
N-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide
CID 34110855
N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide
CID 3317661
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 26289356
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(4-nitrophenyl)acetamide
CID 90556928
N,N-diethyl-3-[[2-(4-nitrophenyl)acetyl]amino]benzamide
CID 43010536

Frequently Asked Questions

What is the IUPAC name of (8R)-7-[2-(4-nitrophenyl)acetyl]-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide?
The IUPAC name of (8R)-7-[2-(4-nitrophenyl)acetyl]-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide (CID 16682060) is (8R)-7-[2-(4-nitrophenyl)acetyl]-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide.
What is the SMILES notation for (8R)-7-[2-(4-nitrophenyl)acetyl]-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide?
The canonical SMILES for (8R)-7-[2-(4-nitrophenyl)acetyl]-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide is CCC(=O)Nc1cccc(C2=NOC3(C2)C[C@H](C(N)=O)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)C3)c1.
What is the InChIKey of (8R)-7-[2-(4-nitrophenyl)acetyl]-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide?
The InChIKey is MSOSVQDRUDCRMR-CGHJUBPDSA-N. The full InChI is InChI=1S/C24H25N5O6/c1-2-21(30)26-17-5-3-4-16(11-17)19-12-24(35-27-19)13-20(23(25)32)28(14-24)22(31)10-15-6-8-18(9-7-15)29(33)34/h3-9,11,20H,2,10,12-14H2,1H3,(H2,25,32)(H,26,30)/t20-,24?/m1/s1.
What are the key properties of (8R)-7-[2-(4-nitrophenyl)acetyl]-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide?
(8R)-7-[2-(4-nitrophenyl)acetyl]-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide has a molecular weight of 479.49 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-7-[2-(4-nitrophenyl)acetyl]-3-[3-(propanoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide is sourced from PubChem (CID 16682060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).