N-(3-isocyano-4-morpholin-4-ylphenyl)acetamide

C13H15N3O2 — CID 58789195

IUPACN-(3-isocyano-4-morpholin-4-ylphenyl)acetamide
SMILES[C-]#[N+]c1cc(NC(C)=O)ccc1N1CCOCC1
InChIInChI=1S/C13H15N3O2/c1-10(17)15-11-3-4-13(12(9-11)14-2)16-5-7-18-8-6-16/h3-4,9H,5-8H2,1H3,(H,15,17)
InChIKeyRVKXISDCDYKQCH-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.03
Rot. Bonds2

About N-(3-isocyano-4-morpholin-4-ylphenyl)acetamide

N-(3-isocyano-4-morpholin-4-ylphenyl)acetamide (PubChem CID 58789195) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(3-isocyano-4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-isocyano-4-morpholin-4-ylphenyl)acetamide
PubChem CID58789195
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(3-isocyano-4-morpholin-4-ylphenyl)acetamide
SMILES[C-]#[N+]c1cc(NC(C)=O)ccc1N1CCOCC1
InChIInChI=1S/C13H15N3O2/c1-10(17)15-11-3-4-13(12(9-11)14-2)16-5-7-18-8-6-16/h3-4,9H,5-8H2,1H3,(H,15,17)
InChIKeyRVKXISDCDYKQCH-UHFFFAOYSA-N
XLogP2.03
TPSA45.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-morpholin-4-ylphenyl)acetamide
CID 42560587
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
N-(3-benzoyl-4-morpholin-4-ylphenyl)acetamide
CID 2953550
N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
CID 50896207
2-methyl-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
CID 50896215
N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 144950070
N-(3-amino-4-morpholin-4-ylphenyl)-2-methylpropanamide
CID 28688940
N-(4-acetamido-2-morpholin-4-ylphenyl)-2-(4-bromophenyl)acetamide
CID 30490824
methyl 5-isocyano-2-morpholin-4-ylbenzoate
CID 140820727
N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide
CID 960696
N-(3-bromo-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide
CID 17220722
5-acetamido-N-(5-bromo-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 60566996

Frequently Asked Questions

What is the IUPAC name of N-(3-isocyano-4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of N-(3-isocyano-4-morpholin-4-ylphenyl)acetamide (CID 58789195) is N-(3-isocyano-4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for N-(3-isocyano-4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for N-(3-isocyano-4-morpholin-4-ylphenyl)acetamide is [C-]#[N+]c1cc(NC(C)=O)ccc1N1CCOCC1.
What is the InChIKey of N-(3-isocyano-4-morpholin-4-ylphenyl)acetamide?
The InChIKey is RVKXISDCDYKQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-10(17)15-11-3-4-13(12(9-11)14-2)16-5-7-18-8-6-16/h3-4,9H,5-8H2,1H3,(H,15,17).
What are the key properties of N-(3-isocyano-4-morpholin-4-ylphenyl)acetamide?
N-(3-isocyano-4-morpholin-4-ylphenyl)acetamide has a molecular weight of 245.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-isocyano-4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 58789195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).