N-formyl-N-phenylmorpholine-4-carboxamide

C12H14N2O3 — CID 54388897

IUPACN-formyl-N-phenylmorpholine-4-carboxamide
SMILESO=CN(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C12H14N2O3/c15-10-14(11-4-2-1-3-5-11)12(16)13-6-8-17-9-7-13/h1-5,10H,6-9H2
InChIKeyCXMJIVUVWCKXKH-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.10
Rot. Bonds2

About N-formyl-N-phenylmorpholine-4-carboxamide

N-formyl-N-phenylmorpholine-4-carboxamide (PubChem CID 54388897) has the molecular formula C12H14N2O3 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-formyl-N-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-formyl-N-phenylmorpholine-4-carboxamide
PubChem CID54388897
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC NameN-formyl-N-phenylmorpholine-4-carboxamide
SMILESO=CN(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C12H14N2O3/c15-10-14(11-4-2-1-3-5-11)12(16)13-6-8-17-9-7-13/h1-5,10H,6-9H2
InChIKeyCXMJIVUVWCKXKH-UHFFFAOYSA-N
XLogP1.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-formyl-N-phenylmorpholine-4-carboxamide?
The IUPAC name of N-formyl-N-phenylmorpholine-4-carboxamide (CID 54388897) is N-formyl-N-phenylmorpholine-4-carboxamide.
What is the SMILES notation for N-formyl-N-phenylmorpholine-4-carboxamide?
The canonical SMILES for N-formyl-N-phenylmorpholine-4-carboxamide is O=CN(C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of N-formyl-N-phenylmorpholine-4-carboxamide?
The InChIKey is CXMJIVUVWCKXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-10-14(11-4-2-1-3-5-11)12(16)13-6-8-17-9-7-13/h1-5,10H,6-9H2.
What are the key properties of N-formyl-N-phenylmorpholine-4-carboxamide?
N-formyl-N-phenylmorpholine-4-carboxamide has a molecular weight of 234.26 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 54388897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).