1-[4-(diethylamino)-3-methylphenyl]-2-morpholin-4-ylethanone

C17H26N2O2 — CID 93194137

IUPAC1-[4-(diethylamino)-3-methylphenyl]-2-morpholin-4-ylethanone
SMILESCCN(CC)c1ccc(C(=O)CN2CCOCC2)cc1C
InChIInChI=1S/C17H26N2O2/c1-4-19(5-2)16-7-6-15(12-14(16)3)17(20)13-18-8-10-21-11-9-18/h6-7,12H,4-5,8-11,13H2,1-3H3
InChIKeyCBNBTBDUXBJMQF-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.36
Rot. Bonds6

About 1-[4-(diethylamino)-3-methylphenyl]-2-morpholin-4-ylethanone

1-[4-(diethylamino)-3-methylphenyl]-2-morpholin-4-ylethanone (PubChem CID 93194137) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[4-(diethylamino)-3-methylphenyl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-(diethylamino)-3-methylphenyl]-2-morpholin-4-ylethanone
PubChem CID93194137
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[4-(diethylamino)-3-methylphenyl]-2-morpholin-4-ylethanone
SMILESCCN(CC)c1ccc(C(=O)CN2CCOCC2)cc1C
InChIInChI=1S/C17H26N2O2/c1-4-19(5-2)16-7-6-15(12-14(16)3)17(20)13-18-8-10-21-11-9-18/h6-7,12H,4-5,8-11,13H2,1-3H3
InChIKeyCBNBTBDUXBJMQF-UHFFFAOYSA-N
XLogP2.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)-3-methylphenyl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-(diethylamino)-3-methylphenyl]-2-morpholin-4-ylethanone (CID 93194137) is 1-[4-(diethylamino)-3-methylphenyl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-(diethylamino)-3-methylphenyl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-(diethylamino)-3-methylphenyl]-2-morpholin-4-ylethanone is CCN(CC)c1ccc(C(=O)CN2CCOCC2)cc1C.
What is the InChIKey of 1-[4-(diethylamino)-3-methylphenyl]-2-morpholin-4-ylethanone?
The InChIKey is CBNBTBDUXBJMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-19(5-2)16-7-6-15(12-14(16)3)17(20)13-18-8-10-21-11-9-18/h6-7,12H,4-5,8-11,13H2,1-3H3.
What are the key properties of 1-[4-(diethylamino)-3-methylphenyl]-2-morpholin-4-ylethanone?
1-[4-(diethylamino)-3-methylphenyl]-2-morpholin-4-ylethanone has a molecular weight of 290.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)-3-methylphenyl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 93194137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).