CID 11384722

C25H32N2O4 — CID 11384722

IUPAC—
SMILESCC(C)=COc1ccc(/C=C2/C(=O)N(C)[C@@H]3CN2C2(CCC4(CC2)OCCO4)C3)cc1
InChIInChI=1S/C25H32N2O4/c1-18(2)17-29-21-6-4-19(5-7-21)14-22-23(28)26(3)20-15-24(27(22)16-20)8-10-25(11-9-24)30-12-13-31-25/h4-7,14,17,20H,8-13,15-16H2,1-3H3/b22-14-/t20-/m0/s1
InChIKeyUQBFVVFTOCCBRI-ALFKQNEGSA-N
MW424.54 g/mol
LogP3.93
Rot. Bonds3

About CID 11384722

CID 11384722 (PubChem CID 11384722) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol.

Molecular Properties

Compound NameCID 11384722
PubChem CID11384722
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name—
SMILESCC(C)=COc1ccc(/C=C2/C(=O)N(C)[C@@H]3CN2C2(CCC4(CC2)OCCO4)C3)cc1
InChIInChI=1S/C25H32N2O4/c1-18(2)17-29-21-6-4-19(5-7-21)14-22-23(28)26(3)20-15-24(27(22)16-20)8-10-25(11-9-24)30-12-13-31-25/h4-7,14,17,20H,8-13,15-16H2,1-3H3/b22-14-/t20-/m0/s1
InChIKeyUQBFVVFTOCCBRI-ALFKQNEGSA-N
XLogP3.93
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E,5S)-4-methyl-2-[[4-(3-methylbut-2-enoxy)phenyl]methylidene]spiro[1,4-diazabicyclo[3.2.1]octane-7,4'-cyclohexane]-1'-one
CID 11303544
9-methyl-1,4-dioxa-9-azadispiro[4.2.58.25]pentadec-10-en-12-one
CID 10728572
(3Z,6R)-1,4-dimethyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methylidene]-6-methylsulfanylpiperazine-2,5-dione
CID 46873168
(5Z)-1-(2-methoxyphenyl)-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6229481
(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-1-naphthalen-2-yl-1,3-diazinane-2,4,6-trione
CID 2292518
8-[(4-phenylmethoxyphenyl)methylidene]-1,4-dioxaspiro[4.5]decane
CID 23150318
2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]isoindole-1,3-dione
CID 5083053
(5E)-1-(4-chlorophenyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1363676
2-[4-[(Z)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetate
CID 7316469
4-[(4-methoxyphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione
CID 171340582
8-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 10934332
1-benzyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-methyl-4H-pyridin-2-one
CID 163979151

Frequently Asked Questions

What is the IUPAC name of CID 11384722?
The IUPAC name of CID 11384722 (CID 11384722) is not available.
What is the SMILES notation for CID 11384722?
The canonical SMILES for CID 11384722 is CC(C)=COc1ccc(/C=C2/C(=O)N(C)[C@@H]3CN2C2(CCC4(CC2)OCCO4)C3)cc1.
What is the InChIKey of CID 11384722?
The InChIKey is UQBFVVFTOCCBRI-ALFKQNEGSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-18(2)17-29-21-6-4-19(5-7-21)14-22-23(28)26(3)20-15-24(27(22)16-20)8-10-25(11-9-24)30-12-13-31-25/h4-7,14,17,20H,8-13,15-16H2,1-3H3/b22-14-/t20-/m0/s1.
What are the key properties of CID 11384722?
CID 11384722 has a molecular weight of 424.54 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11384722 is sourced from PubChem (CID 11384722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).