N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;1-morpholin-4-ylprop-2-en-1-one

C21H24N4O4 — CID 142525094

IUPACN-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;1-morpholin-4-ylprop-2-en-1-one
SMILESC=CC(=O)N1CCOCC1.[H]/N=C/c1c(N)cc(-c2ccc(O)cc2)cc1NC=O
InChIInChI=1S/C14H13N3O2.C7H11NO2/c15-7-12-13(16)5-10(6-14(12)17-8-18)9-1-3-11(19)4-2-9;1-2-7(9)8-3-5-10-6-4-8/h1-8,15,19H,16H2,(H,17,18);2H,1,3-6H2/b15-7+;
InChIKeyBMFZVLFESGEFBI-HAZZGOGXSA-N
MW396.45 g/mol
LogP2.24
Rot. Bonds5

About N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;1-morpholin-4-ylprop-2-en-1-one

N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;1-morpholin-4-ylprop-2-en-1-one (PubChem CID 142525094) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound NameN-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;1-morpholin-4-ylprop-2-en-1-one
PubChem CID142525094
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;1-morpholin-4-ylprop-2-en-1-one
SMILESC=CC(=O)N1CCOCC1.[H]/N=C/c1c(N)cc(-c2ccc(O)cc2)cc1NC=O
InChIInChI=1S/C14H13N3O2.C7H11NO2/c15-7-12-13(16)5-10(6-14(12)17-8-18)9-1-3-11(19)4-2-9;1-2-7(9)8-3-5-10-6-4-8/h1-8,15,19H,16H2,(H,17,18);2H,1,3-6H2/b15-7+;
InChIKeyBMFZVLFESGEFBI-HAZZGOGXSA-N
XLogP2.24
TPSA128.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;1-morpholin-4-ylprop-2-en-1-one (CID 142525094) is N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;1-morpholin-4-ylprop-2-en-1-one is C=CC(=O)N1CCOCC1.[H]/N=C/c1c(N)cc(-c2ccc(O)cc2)cc1NC=O.
What is the InChIKey of N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is BMFZVLFESGEFBI-HAZZGOGXSA-N. The full InChI is InChI=1S/C14H13N3O2.C7H11NO2/c15-7-12-13(16)5-10(6-14(12)17-8-18)9-1-3-11(19)4-2-9;1-2-7(9)8-3-5-10-6-4-8/h1-8,15,19H,16H2,(H,17,18);2H,1,3-6H2/b15-7+;.
What are the key properties of N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;1-morpholin-4-ylprop-2-en-1-one?
N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 396.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 142525094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).