2-(morpholine-4-carbonyl)-3-[5-[4-(morpholine-4-carbonyl)phenyl]furan-2-yl]prop-2-enenitrile

C23H23N3O5 — CID 3995596

IUPAC2-(morpholine-4-carbonyl)-3-[5-[4-(morpholine-4-carbonyl)phenyl]furan-2-yl]prop-2-enenitrile
SMILESN#CC(=Cc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)o1)C(=O)N1CCOCC1
InChIInChI=1S/C23H23N3O5/c24-16-19(23(28)26-9-13-30-14-10-26)15-20-5-6-21(31-20)17-1-3-18(4-2-17)22(27)25-7-11-29-12-8-25/h1-6,15H,7-14H2
InChIKeyXHRWWVCZORMKHK-UHFFFAOYSA-N
MW421.45 g/mol
LogP2.18
Rot. Bonds4

About 2-(morpholine-4-carbonyl)-3-[5-[4-(morpholine-4-carbonyl)phenyl]furan-2-yl]prop-2-enenitrile

2-(morpholine-4-carbonyl)-3-[5-[4-(morpholine-4-carbonyl)phenyl]furan-2-yl]prop-2-enenitrile (PubChem CID 3995596) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is 2-(morpholine-4-carbonyl)-3-[5-[4-(morpholine-4-carbonyl)phenyl]furan-2-yl]prop-2-enenitrile.

Molecular Properties

Compound Name2-(morpholine-4-carbonyl)-3-[5-[4-(morpholine-4-carbonyl)phenyl]furan-2-yl]prop-2-enenitrile
PubChem CID3995596
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name2-(morpholine-4-carbonyl)-3-[5-[4-(morpholine-4-carbonyl)phenyl]furan-2-yl]prop-2-enenitrile
SMILESN#CC(=Cc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)o1)C(=O)N1CCOCC1
InChIInChI=1S/C23H23N3O5/c24-16-19(23(28)26-9-13-30-14-10-26)15-20-5-6-21(31-20)17-1-3-18(4-2-17)22(27)25-7-11-29-12-8-25/h1-6,15H,7-14H2
InChIKeyXHRWWVCZORMKHK-UHFFFAOYSA-N
XLogP2.18
TPSA96.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[5-(4-fluorophenyl)furan-2-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 3124806
(Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 779494
ethyl 4-[5-[(E)-2-cyano-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]furan-2-yl]benzoate
CID 27128623
2-(azepane-1-carbonyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 3664644
3-[5-(4-methoxyphenyl)furan-2-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 3124807
(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile
CID 34260057
(E)-3-(furan-2-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 6293394
(E)-3-(4-methylphenyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 40556389
3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 2866324
(E)-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]-2-(4-propylbenzoyl)prop-2-enenitrile
CID 6072416
(Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 726345
4-[5-[(E)-3-(4-carboxyanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 45326893

Frequently Asked Questions

What is the IUPAC name of 2-(morpholine-4-carbonyl)-3-[5-[4-(morpholine-4-carbonyl)phenyl]furan-2-yl]prop-2-enenitrile?
The IUPAC name of 2-(morpholine-4-carbonyl)-3-[5-[4-(morpholine-4-carbonyl)phenyl]furan-2-yl]prop-2-enenitrile (CID 3995596) is 2-(morpholine-4-carbonyl)-3-[5-[4-(morpholine-4-carbonyl)phenyl]furan-2-yl]prop-2-enenitrile.
What is the SMILES notation for 2-(morpholine-4-carbonyl)-3-[5-[4-(morpholine-4-carbonyl)phenyl]furan-2-yl]prop-2-enenitrile?
The canonical SMILES for 2-(morpholine-4-carbonyl)-3-[5-[4-(morpholine-4-carbonyl)phenyl]furan-2-yl]prop-2-enenitrile is N#CC(=Cc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)o1)C(=O)N1CCOCC1.
What is the InChIKey of 2-(morpholine-4-carbonyl)-3-[5-[4-(morpholine-4-carbonyl)phenyl]furan-2-yl]prop-2-enenitrile?
The InChIKey is XHRWWVCZORMKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c24-16-19(23(28)26-9-13-30-14-10-26)15-20-5-6-21(31-20)17-1-3-18(4-2-17)22(27)25-7-11-29-12-8-25/h1-6,15H,7-14H2.
What are the key properties of 2-(morpholine-4-carbonyl)-3-[5-[4-(morpholine-4-carbonyl)phenyl]furan-2-yl]prop-2-enenitrile?
2-(morpholine-4-carbonyl)-3-[5-[4-(morpholine-4-carbonyl)phenyl]furan-2-yl]prop-2-enenitrile has a molecular weight of 421.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholine-4-carbonyl)-3-[5-[4-(morpholine-4-carbonyl)phenyl]furan-2-yl]prop-2-enenitrile is sourced from PubChem (CID 3995596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).