4-[2-[(2-methoxyethylamino)methyl]phenyl]morpholine-3-carboxamide

C15H23N3O3 — CID 83098525

IUPAC4-[2-[(2-methoxyethylamino)methyl]phenyl]morpholine-3-carboxamide
SMILESCOCCNCc1ccccc1N1CCOCC1C(N)=O
InChIInChI=1S/C15H23N3O3/c1-20-8-6-17-10-12-4-2-3-5-13(12)18-7-9-21-11-14(18)15(16)19/h2-5,14,17H,6-11H2,1H3,(H2,16,19)
InChIKeyOBOWKNSHUVHXGQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.11
Rot. Bonds7

About 4-[2-[(2-methoxyethylamino)methyl]phenyl]morpholine-3-carboxamide

4-[2-[(2-methoxyethylamino)methyl]phenyl]morpholine-3-carboxamide (PubChem CID 83098525) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[2-[(2-methoxyethylamino)methyl]phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-[(2-methoxyethylamino)methyl]phenyl]morpholine-3-carboxamide
PubChem CID83098525
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-[2-[(2-methoxyethylamino)methyl]phenyl]morpholine-3-carboxamide
SMILESCOCCNCc1ccccc1N1CCOCC1C(N)=O
InChIInChI=1S/C15H23N3O3/c1-20-8-6-17-10-12-4-2-3-5-13(12)18-7-9-21-11-14(18)15(16)19/h2-5,14,17H,6-11H2,1H3,(H2,16,19)
InChIKeyOBOWKNSHUVHXGQ-UHFFFAOYSA-N
XLogP0.11
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-methoxyethylamino)methyl]phenyl]morpholine-3-carboxamide?
The IUPAC name of 4-[2-[(2-methoxyethylamino)methyl]phenyl]morpholine-3-carboxamide (CID 83098525) is 4-[2-[(2-methoxyethylamino)methyl]phenyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[2-[(2-methoxyethylamino)methyl]phenyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[2-[(2-methoxyethylamino)methyl]phenyl]morpholine-3-carboxamide is COCCNCc1ccccc1N1CCOCC1C(N)=O.
What is the InChIKey of 4-[2-[(2-methoxyethylamino)methyl]phenyl]morpholine-3-carboxamide?
The InChIKey is OBOWKNSHUVHXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-20-8-6-17-10-12-4-2-3-5-13(12)18-7-9-21-11-14(18)15(16)19/h2-5,14,17H,6-11H2,1H3,(H2,16,19).
What are the key properties of 4-[2-[(2-methoxyethylamino)methyl]phenyl]morpholine-3-carboxamide?
4-[2-[(2-methoxyethylamino)methyl]phenyl]morpholine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-methoxyethylamino)methyl]phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 83098525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).