(Z)-2-cyano-N-(2-methoxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide

C19H19N3O4 — CID 19131342

IUPAC(Z)-2-cyano-N-(2-methoxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide
SMILESCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)o1
InChIInChI=1S/C19H19N3O4/c1-24-17-5-3-2-4-16(17)21-19(23)14(13-20)12-15-6-7-18(26-15)22-8-10-25-11-9-22/h2-7,12H,8-11H2,1H3,(H,21,23)/b14-12-
InChIKeyUYKMZKDYQYQTGJ-OWBHPGMISA-N
MW353.38 g/mol
LogP2.67
Rot. Bonds5

About (Z)-2-cyano-N-(2-methoxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide

(Z)-2-cyano-N-(2-methoxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide (PubChem CID 19131342) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-methoxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-methoxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide
PubChem CID19131342
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name(Z)-2-cyano-N-(2-methoxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide
SMILESCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)o1
InChIInChI=1S/C19H19N3O4/c1-24-17-5-3-2-4-16(17)21-19(23)14(13-20)12-15-6-7-18(26-15)22-8-10-25-11-9-22/h2-7,12H,8-11H2,1H3,(H,21,23)/b14-12-
InChIKeyUYKMZKDYQYQTGJ-OWBHPGMISA-N
XLogP2.67
TPSA87.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_B(2)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-(2-methoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4107156
(Z)-N-(4-chloro-2-methylphenyl)-2-cyano-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide
CID 20834902
4-[5-[(Z)-2-cyano-3-(2-methoxyanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 93071049
N-(2-bromophenyl)-2-cyano-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enamide
CID 5155842
(E)-2-cyano-N-cyclopropyl-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide
CID 56950928
5-[5-[(E)-2-cyano-3-(2-methoxyanilino)-3-oxoprop-1-enyl]furan-2-yl]benzene-1,3-dicarboxylic acid
CID 1278429
(E)-2-cyano-N-phenyl-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide
CID 31979982
(E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide
CID 2713805
2-cyano-3-(4-morpholin-4-ylphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 3421130
2-chloro-4-[5-[(E)-2-cyano-3-(2-methoxyanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 126005980
methyl (E)-2-cyano-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enoate
CID 12603300
methyl 4-[(E)-2-cyano-3-(2-methoxyanilino)-3-oxoprop-1-enyl]benzoate
CID 2713812

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-methoxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-methoxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide (CID 19131342) is (Z)-2-cyano-N-(2-methoxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-methoxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-methoxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide is COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)o1.
What is the InChIKey of (Z)-2-cyano-N-(2-methoxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide?
The InChIKey is UYKMZKDYQYQTGJ-OWBHPGMISA-N. The full InChI is InChI=1S/C19H19N3O4/c1-24-17-5-3-2-4-16(17)21-19(23)14(13-20)12-15-6-7-18(26-15)22-8-10-25-11-9-22/h2-7,12H,8-11H2,1H3,(H,21,23)/b14-12-.
What are the key properties of (Z)-2-cyano-N-(2-methoxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide?
(Z)-2-cyano-N-(2-methoxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide has a molecular weight of 353.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2-methoxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 19131342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).