2-[2-(hydroxymethyl)anilino]-1-morpholin-4-ylpropan-1-one

C14H20N2O3 — CID 4880440

IUPAC2-[2-(hydroxymethyl)anilino]-1-morpholin-4-ylpropan-1-one
SMILESCC(Nc1ccccc1CO)C(=O)N1CCOCC1
InChIInChI=1S/C14H20N2O3/c1-11(14(18)16-6-8-19-9-7-16)15-13-5-3-2-4-12(13)10-17/h2-5,11,15,17H,6-10H2,1H3
InChIKeySUDGROMWMLUBKN-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.84
Rot. Bonds4

About 2-[2-(hydroxymethyl)anilino]-1-morpholin-4-ylpropan-1-one

2-[2-(hydroxymethyl)anilino]-1-morpholin-4-ylpropan-1-one (PubChem CID 4880440) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)anilino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)anilino]-1-morpholin-4-ylpropan-1-one
PubChem CID4880440
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[2-(hydroxymethyl)anilino]-1-morpholin-4-ylpropan-1-one
SMILESCC(Nc1ccccc1CO)C(=O)N1CCOCC1
InChIInChI=1S/C14H20N2O3/c1-11(14(18)16-6-8-19-9-7-16)15-13-5-3-2-4-12(13)10-17/h2-5,11,15,17H,6-10H2,1H3
InChIKeySUDGROMWMLUBKN-UHFFFAOYSA-N
XLogP0.84
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)anilino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[2-(hydroxymethyl)anilino]-1-morpholin-4-ylpropan-1-one (CID 4880440) is 2-[2-(hydroxymethyl)anilino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[2-(hydroxymethyl)anilino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[2-(hydroxymethyl)anilino]-1-morpholin-4-ylpropan-1-one is CC(Nc1ccccc1CO)C(=O)N1CCOCC1.
What is the InChIKey of 2-[2-(hydroxymethyl)anilino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is SUDGROMWMLUBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11(14(18)16-6-8-19-9-7-16)15-13-5-3-2-4-12(13)10-17/h2-5,11,15,17H,6-10H2,1H3.
What are the key properties of 2-[2-(hydroxymethyl)anilino]-1-morpholin-4-ylpropan-1-one?
2-[2-(hydroxymethyl)anilino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 264.32 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)anilino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 4880440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).