14-methyl-4-[(E)-2-phenylethenyl]-1-oxa-14-azadispiro[4.1.67.25]pentadec-3-ene-2,6,15-trione

C22H23NO4 — CID 170914053

IUPAC14-methyl-4-[(E)-2-phenylethenyl]-1-oxa-14-azadispiro[4.1.67.25]pentadec-3-ene-2,6,15-trione
SMILESCN1C(=O)C2(OC(=O)C=C2/C=C/c2ccccc2)C(=O)C12CCCCCC2
InChIInChI=1S/C22H23NO4/c1-23-20(26)22(19(25)21(23)13-7-2-3-8-14-21)17(15-18(24)27-22)12-11-16-9-5-4-6-10-16/h4-6,9-12,15H,2-3,7-8,13-14H2,1H3/b12-11+
InChIKeyOIKXQYADZNGVEJ-VAWYXSNFSA-N
MW365.43 g/mol
LogP3.06
Rot. Bonds2

About 14-methyl-4-[(E)-2-phenylethenyl]-1-oxa-14-azadispiro[4.1.67.25]pentadec-3-ene-2,6,15-trione

14-methyl-4-[(E)-2-phenylethenyl]-1-oxa-14-azadispiro[4.1.67.25]pentadec-3-ene-2,6,15-trione (PubChem CID 170914053) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 14-methyl-4-[(E)-2-phenylethenyl]-1-oxa-14-azadispiro[4.1.67.25]pentadec-3-ene-2,6,15-trione.

Molecular Properties

Compound Name14-methyl-4-[(E)-2-phenylethenyl]-1-oxa-14-azadispiro[4.1.67.25]pentadec-3-ene-2,6,15-trione
PubChem CID170914053
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name14-methyl-4-[(E)-2-phenylethenyl]-1-oxa-14-azadispiro[4.1.67.25]pentadec-3-ene-2,6,15-trione
SMILESCN1C(=O)C2(OC(=O)C=C2/C=C/c2ccccc2)C(=O)C12CCCCCC2
InChIInChI=1S/C22H23NO4/c1-23-20(26)22(19(25)21(23)13-7-2-3-8-14-21)17(15-18(24)27-22)12-11-16-9-5-4-6-10-16/h4-6,9-12,15H,2-3,7-8,13-14H2,1H3/b12-11+
InChIKeyOIKXQYADZNGVEJ-VAWYXSNFSA-N
XLogP3.06
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 170913758
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CID 67648697
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CID 162626207
(4R,7R)-4,7-dimethyl-3-[(E)-2-phenylethenyl]-4,7-bis(prop-2-enyl)cyclohept-2-en-1-one
CID 162418398
1-[(E)-2-phenylethenyl]azepane
CID 146169339
pyrrolidine-2,5-dione;stilbene
CID 70488570
4-phenyl-1-oxaspiro[4.4]non-3-en-2-one
CID 14006218
2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-dioxolane
CID 170873890
iodomethane;1-[(E)-2-phenylethenyl]piperidine
CID 20839071
4-(benzylamino)-1-oxaspiro[4.5]dec-3-en-2-one
CID 684171

Frequently Asked Questions

What is the IUPAC name of 14-methyl-4-[(E)-2-phenylethenyl]-1-oxa-14-azadispiro[4.1.67.25]pentadec-3-ene-2,6,15-trione?
The IUPAC name of 14-methyl-4-[(E)-2-phenylethenyl]-1-oxa-14-azadispiro[4.1.67.25]pentadec-3-ene-2,6,15-trione (CID 170914053) is 14-methyl-4-[(E)-2-phenylethenyl]-1-oxa-14-azadispiro[4.1.67.25]pentadec-3-ene-2,6,15-trione.
What is the SMILES notation for 14-methyl-4-[(E)-2-phenylethenyl]-1-oxa-14-azadispiro[4.1.67.25]pentadec-3-ene-2,6,15-trione?
The canonical SMILES for 14-methyl-4-[(E)-2-phenylethenyl]-1-oxa-14-azadispiro[4.1.67.25]pentadec-3-ene-2,6,15-trione is CN1C(=O)C2(OC(=O)C=C2/C=C/c2ccccc2)C(=O)C12CCCCCC2.
What is the InChIKey of 14-methyl-4-[(E)-2-phenylethenyl]-1-oxa-14-azadispiro[4.1.67.25]pentadec-3-ene-2,6,15-trione?
The InChIKey is OIKXQYADZNGVEJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H23NO4/c1-23-20(26)22(19(25)21(23)13-7-2-3-8-14-21)17(15-18(24)27-22)12-11-16-9-5-4-6-10-16/h4-6,9-12,15H,2-3,7-8,13-14H2,1H3/b12-11+.
What are the key properties of 14-methyl-4-[(E)-2-phenylethenyl]-1-oxa-14-azadispiro[4.1.67.25]pentadec-3-ene-2,6,15-trione?
14-methyl-4-[(E)-2-phenylethenyl]-1-oxa-14-azadispiro[4.1.67.25]pentadec-3-ene-2,6,15-trione has a molecular weight of 365.43 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-4-[(E)-2-phenylethenyl]-1-oxa-14-azadispiro[4.1.67.25]pentadec-3-ene-2,6,15-trione is sourced from PubChem (CID 170914053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).