1-[(2R)-2-cyclopropylmorpholin-4-yl]-2-[4-(dimethylamino)phenyl]ethanone

C17H24N2O2 — CID 99970788

IUPAC1-[(2R)-2-cyclopropylmorpholin-4-yl]-2-[4-(dimethylamino)phenyl]ethanone
SMILESCN(C)c1ccc(CC(=O)N2CCO[C@H](C3CC3)C2)cc1
InChIInChI=1S/C17H24N2O2/c1-18(2)15-7-3-13(4-8-15)11-17(20)19-9-10-21-16(12-19)14-5-6-14/h3-4,7-8,14,16H,5-6,9-12H2,1-2H3/t16-/m0/s1
InChIKeyFUAIWBNDVPXKHD-INIZCTEOSA-N
MW288.39 g/mol
LogP1.93
Rot. Bonds4

About 1-[(2R)-2-cyclopropylmorpholin-4-yl]-2-[4-(dimethylamino)phenyl]ethanone

1-[(2R)-2-cyclopropylmorpholin-4-yl]-2-[4-(dimethylamino)phenyl]ethanone (PubChem CID 99970788) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[(2R)-2-cyclopropylmorpholin-4-yl]-2-[4-(dimethylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-cyclopropylmorpholin-4-yl]-2-[4-(dimethylamino)phenyl]ethanone
PubChem CID99970788
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[(2R)-2-cyclopropylmorpholin-4-yl]-2-[4-(dimethylamino)phenyl]ethanone
SMILESCN(C)c1ccc(CC(=O)N2CCO[C@H](C3CC3)C2)cc1
InChIInChI=1S/C17H24N2O2/c1-18(2)15-7-3-13(4-8-15)11-17(20)19-9-10-21-16(12-19)14-5-6-14/h3-4,7-8,14,16H,5-6,9-12H2,1-2H3/t16-/m0/s1
InChIKeyFUAIWBNDVPXKHD-INIZCTEOSA-N
XLogP1.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-cyclopropylmorpholin-4-yl]-2-[4-(dimethylamino)phenyl]ethanone?
The IUPAC name of 1-[(2R)-2-cyclopropylmorpholin-4-yl]-2-[4-(dimethylamino)phenyl]ethanone (CID 99970788) is 1-[(2R)-2-cyclopropylmorpholin-4-yl]-2-[4-(dimethylamino)phenyl]ethanone.
What is the SMILES notation for 1-[(2R)-2-cyclopropylmorpholin-4-yl]-2-[4-(dimethylamino)phenyl]ethanone?
The canonical SMILES for 1-[(2R)-2-cyclopropylmorpholin-4-yl]-2-[4-(dimethylamino)phenyl]ethanone is CN(C)c1ccc(CC(=O)N2CCO[C@H](C3CC3)C2)cc1.
What is the InChIKey of 1-[(2R)-2-cyclopropylmorpholin-4-yl]-2-[4-(dimethylamino)phenyl]ethanone?
The InChIKey is FUAIWBNDVPXKHD-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-18(2)15-7-3-13(4-8-15)11-17(20)19-9-10-21-16(12-19)14-5-6-14/h3-4,7-8,14,16H,5-6,9-12H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[(2R)-2-cyclopropylmorpholin-4-yl]-2-[4-(dimethylamino)phenyl]ethanone?
1-[(2R)-2-cyclopropylmorpholin-4-yl]-2-[4-(dimethylamino)phenyl]ethanone has a molecular weight of 288.39 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-cyclopropylmorpholin-4-yl]-2-[4-(dimethylamino)phenyl]ethanone is sourced from PubChem (CID 99970788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).