N-[(E)-1-(3-cyano-4-morpholin-4-ylphenyl)butylideneamino]formamide

C16H20N4O2 — CID 137473740

IUPACN-[(E)-1-(3-cyano-4-morpholin-4-ylphenyl)butylideneamino]formamide
SMILESCCC/C(=N\NC=O)c1ccc(N2CCOCC2)c(C#N)c1
InChIInChI=1S/C16H20N4O2/c1-2-3-15(19-18-12-21)13-4-5-16(14(10-13)11-17)20-6-8-22-9-7-20/h4-5,10,12H,2-3,6-9H2,1H3,(H,18,21)/b19-15+
InChIKeyJHCBFSKMTHLFSQ-XDJHFCHBSA-N
MW300.36 g/mol
LogP1.65
Rot. Bonds6

About N-[(E)-1-(3-cyano-4-morpholin-4-ylphenyl)butylideneamino]formamide

N-[(E)-1-(3-cyano-4-morpholin-4-ylphenyl)butylideneamino]formamide (PubChem CID 137473740) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(E)-1-(3-cyano-4-morpholin-4-ylphenyl)butylideneamino]formamide.

Molecular Properties

Compound NameN-[(E)-1-(3-cyano-4-morpholin-4-ylphenyl)butylideneamino]formamide
PubChem CID137473740
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[(E)-1-(3-cyano-4-morpholin-4-ylphenyl)butylideneamino]formamide
SMILESCCC/C(=N\NC=O)c1ccc(N2CCOCC2)c(C#N)c1
InChIInChI=1S/C16H20N4O2/c1-2-3-15(19-18-12-21)13-4-5-16(14(10-13)11-17)20-6-8-22-9-7-20/h4-5,10,12H,2-3,6-9H2,1H3,(H,18,21)/b19-15+
InChIKeyJHCBFSKMTHLFSQ-XDJHFCHBSA-N
XLogP1.65
TPSA77.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-cyano-4-morpholin-4-ylphenyl)butylideneamino]formamide?
The IUPAC name of N-[(E)-1-(3-cyano-4-morpholin-4-ylphenyl)butylideneamino]formamide (CID 137473740) is N-[(E)-1-(3-cyano-4-morpholin-4-ylphenyl)butylideneamino]formamide.
What is the SMILES notation for N-[(E)-1-(3-cyano-4-morpholin-4-ylphenyl)butylideneamino]formamide?
The canonical SMILES for N-[(E)-1-(3-cyano-4-morpholin-4-ylphenyl)butylideneamino]formamide is CCC/C(=N\NC=O)c1ccc(N2CCOCC2)c(C#N)c1.
What is the InChIKey of N-[(E)-1-(3-cyano-4-morpholin-4-ylphenyl)butylideneamino]formamide?
The InChIKey is JHCBFSKMTHLFSQ-XDJHFCHBSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-3-15(19-18-12-21)13-4-5-16(14(10-13)11-17)20-6-8-22-9-7-20/h4-5,10,12H,2-3,6-9H2,1H3,(H,18,21)/b19-15+.
What are the key properties of N-[(E)-1-(3-cyano-4-morpholin-4-ylphenyl)butylideneamino]formamide?
N-[(E)-1-(3-cyano-4-morpholin-4-ylphenyl)butylideneamino]formamide has a molecular weight of 300.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3-cyano-4-morpholin-4-ylphenyl)butylideneamino]formamide is sourced from PubChem (CID 137473740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).