[3-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate

C24H22N2O4 — CID 1280920

IUPAC[3-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(/C=C/c1ccco1)Oc1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C24H22N2O4/c27-24(11-10-22-5-2-14-29-22)30-23-4-1-3-19(17-23)18-25-20-6-8-21(9-7-20)26-12-15-28-16-13-26/h1-11,14,17-18H,12-13,15-16H2/b11-10+,25-18+
InChIKeyPRSSAPAOLWFULI-ADTGEPROSA-N
MW402.45 g/mol
LogP4.49
Rot. Bonds6

About [3-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate

[3-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 1280920) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is [3-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[3-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID1280920
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name[3-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(/C=C/c1ccco1)Oc1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C24H22N2O4/c27-24(11-10-22-5-2-14-29-22)30-23-4-1-3-19(17-23)18-25-20-6-8-21(9-7-20)26-12-15-28-16-13-26/h1-11,14,17-18H,12-13,15-16H2/b11-10+,25-18+
InChIKeyPRSSAPAOLWFULI-ADTGEPROSA-N
XLogP4.49
TPSA64.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] furan-2-carboxylate
CID 23789735
1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 4665354
[3-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 6240389
[3-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 41339724
[3-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 41002765
4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 914052
2-morpholin-4-ylethyl 3-(furan-2-yl)prop-2-enoate
CID 797064
4-[[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]oxyphenyl]methylideneamino]benzoic acid
CID 164824152
[3-[[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-(furan-2-yl)prop-2-enoate
CID 71950797
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 1276317
[2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] 2-chlorobenzoate
CID 1124788
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 126129820

Frequently Asked Questions

What is the IUPAC name of [3-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of [3-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate (CID 1280920) is [3-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [3-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [3-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate is O=C(/C=C/c1ccco1)Oc1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of [3-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is PRSSAPAOLWFULI-ADTGEPROSA-N. The full InChI is InChI=1S/C24H22N2O4/c27-24(11-10-22-5-2-14-29-22)30-23-4-1-3-19(17-23)18-25-20-6-8-21(9-7-20)26-12-15-28-16-13-26/h1-11,14,17-18H,12-13,15-16H2/b11-10+,25-18+.
What are the key properties of [3-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate?
[3-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 402.45 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 1280920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).