N-(5-formamido-4-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide

C15H19N3O4 — CID 137443539

IUPACN-(5-formamido-4-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(NC=O)c(OC)cc1N1CCOCC1
InChIInChI=1S/C15H19N3O4/c1-3-15(20)17-11-8-12(16-10-19)14(21-2)9-13(11)18-4-6-22-7-5-18/h3,8-10H,1,4-7H2,2H3,(H,16,19)(H,17,20)
InChIKeyBWKLNUAJFOVIIE-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.22
Rot. Bonds6

About N-(5-formamido-4-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide

N-(5-formamido-4-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide (PubChem CID 137443539) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-(5-formamido-4-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-formamido-4-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide
PubChem CID137443539
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC NameN-(5-formamido-4-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(NC=O)c(OC)cc1N1CCOCC1
InChIInChI=1S/C15H19N3O4/c1-3-15(20)17-11-8-12(16-10-19)14(21-2)9-13(11)18-4-6-22-7-5-18/h3,8-10H,1,4-7H2,2H3,(H,16,19)(H,17,20)
InChIKeyBWKLNUAJFOVIIE-UHFFFAOYSA-N
XLogP1.22
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-formamido-4-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide?
The IUPAC name of N-(5-formamido-4-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide (CID 137443539) is N-(5-formamido-4-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide.
What is the SMILES notation for N-(5-formamido-4-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide?
The canonical SMILES for N-(5-formamido-4-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide is C=CC(=O)Nc1cc(NC=O)c(OC)cc1N1CCOCC1.
What is the InChIKey of N-(5-formamido-4-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide?
The InChIKey is BWKLNUAJFOVIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-3-15(20)17-11-8-12(16-10-19)14(21-2)9-13(11)18-4-6-22-7-5-18/h3,8-10H,1,4-7H2,2H3,(H,16,19)(H,17,20).
What are the key properties of N-(5-formamido-4-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide?
N-(5-formamido-4-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide has a molecular weight of 305.33 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-formamido-4-methoxy-2-morpholin-4-ylphenyl)prop-2-enamide is sourced from PubChem (CID 137443539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).