N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;morpholine

C18H22N4O3 — CID 142525146

IUPACN-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;morpholine
SMILESC1COCCN1.[H]/N=C/c1c(N)cc(-c2ccc(O)cc2)cc1NC=O
InChIInChI=1S/C14H13N3O2.C4H9NO/c15-7-12-13(16)5-10(6-14(12)17-8-18)9-1-3-11(19)4-2-9;1-3-6-4-2-5-1/h1-8,15,19H,16H2,(H,17,18);5H,1-4H2/b15-7+;
InChIKeyGTBKITNGXUNEHX-HAZZGOGXSA-N
MW342.40 g/mol
LogP1.81
Rot. Bonds4

About N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;morpholine

N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;morpholine (PubChem CID 142525146) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;morpholine.

Molecular Properties

Compound NameN-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;morpholine
PubChem CID142525146
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;morpholine
SMILESC1COCCN1.[H]/N=C/c1c(N)cc(-c2ccc(O)cc2)cc1NC=O
InChIInChI=1S/C14H13N3O2.C4H9NO/c15-7-12-13(16)5-10(6-14(12)17-8-18)9-1-3-11(19)4-2-9;1-3-6-4-2-5-1/h1-8,15,19H,16H2,(H,17,18);5H,1-4H2/b15-7+;
InChIKeyGTBKITNGXUNEHX-HAZZGOGXSA-N
XLogP1.81
TPSA120.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.81
H-Bond Donors ≤ 55
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;morpholine?
The IUPAC name of N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;morpholine (CID 142525146) is N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;morpholine.
What is the SMILES notation for N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;morpholine?
The canonical SMILES for N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;morpholine is C1COCCN1.[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;morpholine?
The InChIKey is GTBKITNGXUNEHX-HAZZGOGXSA-N. The full InChI is InChI=1S/C14H13N3O2.C4H9NO/c15-7-12-13(16)5-10(6-14(12)17-8-18)9-1-3-11(19)4-2-9;1-3-6-4-2-5-1/h1-8,15,19H,16H2,(H,17,18);5H,1-4H2/b15-7+;.
What are the key properties of N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;morpholine?
N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide;morpholine has a molecular weight of 342.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 5 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;morpholine is sourced from PubChem (CID 142525146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).