N-[N-acetyl-C-(4-morpholin-4-ylphenyl)carbonimidoyl]acetamide

C15H19N3O3 — CID 5137156

IUPACN-[N-acetyl-C-(4-morpholin-4-ylphenyl)carbonimidoyl]acetamide
SMILESCC(=O)/N=C(/NC(C)=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H19N3O3/c1-11(19)16-15(17-12(2)20)13-3-5-14(6-4-13)18-7-9-21-10-8-18/h3-6H,7-10H2,1-2H3,(H,16,17,19,20)
InChIKeyLMMFDYILMGCLDP-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.95
Rot. Bonds2

About N-[N-acetyl-C-(4-morpholin-4-ylphenyl)carbonimidoyl]acetamide

N-[N-acetyl-C-(4-morpholin-4-ylphenyl)carbonimidoyl]acetamide (PubChem CID 5137156) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[N-acetyl-C-(4-morpholin-4-ylphenyl)carbonimidoyl]acetamide.

Molecular Properties

Compound NameN-[N-acetyl-C-(4-morpholin-4-ylphenyl)carbonimidoyl]acetamide
PubChem CID5137156
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-[N-acetyl-C-(4-morpholin-4-ylphenyl)carbonimidoyl]acetamide
SMILESCC(=O)/N=C(/NC(C)=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H19N3O3/c1-11(19)16-15(17-12(2)20)13-3-5-14(6-4-13)18-7-9-21-10-8-18/h3-6H,7-10H2,1-2H3,(H,16,17,19,20)
InChIKeyLMMFDYILMGCLDP-UHFFFAOYSA-N
XLogP0.95
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[N-acetyl-C-(4-morpholin-4-ylphenyl)carbonimidoyl]acetamide?
The IUPAC name of N-[N-acetyl-C-(4-morpholin-4-ylphenyl)carbonimidoyl]acetamide (CID 5137156) is N-[N-acetyl-C-(4-morpholin-4-ylphenyl)carbonimidoyl]acetamide.
What is the SMILES notation for N-[N-acetyl-C-(4-morpholin-4-ylphenyl)carbonimidoyl]acetamide?
The canonical SMILES for N-[N-acetyl-C-(4-morpholin-4-ylphenyl)carbonimidoyl]acetamide is CC(=O)/N=C(/NC(C)=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[N-acetyl-C-(4-morpholin-4-ylphenyl)carbonimidoyl]acetamide?
The InChIKey is LMMFDYILMGCLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11(19)16-15(17-12(2)20)13-3-5-14(6-4-13)18-7-9-21-10-8-18/h3-6H,7-10H2,1-2H3,(H,16,17,19,20).
What are the key properties of N-[N-acetyl-C-(4-morpholin-4-ylphenyl)carbonimidoyl]acetamide?
N-[N-acetyl-C-(4-morpholin-4-ylphenyl)carbonimidoyl]acetamide has a molecular weight of 289.34 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-acetyl-C-(4-morpholin-4-ylphenyl)carbonimidoyl]acetamide is sourced from PubChem (CID 5137156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).