7-(3-methyl-3-phenylmorpholine-4-carbonyl)azepan-2-one

C18H24N2O3 — CID 154760796

IUPAC7-(3-methyl-3-phenylmorpholine-4-carbonyl)azepan-2-one
SMILESCC1(c2ccccc2)COCCN1C(=O)C1CCCCC(=O)N1
InChIInChI=1S/C18H24N2O3/c1-18(14-7-3-2-4-8-14)13-23-12-11-20(18)17(22)15-9-5-6-10-16(21)19-15/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,19,21)
InChIKeyMRLXGALNUSZJIU-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.82
Rot. Bonds2

About 7-(3-methyl-3-phenylmorpholine-4-carbonyl)azepan-2-one

7-(3-methyl-3-phenylmorpholine-4-carbonyl)azepan-2-one (PubChem CID 154760796) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 7-(3-methyl-3-phenylmorpholine-4-carbonyl)azepan-2-one.

Molecular Properties

Compound Name7-(3-methyl-3-phenylmorpholine-4-carbonyl)azepan-2-one
PubChem CID154760796
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name7-(3-methyl-3-phenylmorpholine-4-carbonyl)azepan-2-one
SMILESCC1(c2ccccc2)COCCN1C(=O)C1CCCCC(=O)N1
InChIInChI=1S/C18H24N2O3/c1-18(14-7-3-2-4-8-14)13-23-12-11-20(18)17(22)15-9-5-6-10-16(21)19-15/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,19,21)
InChIKeyMRLXGALNUSZJIU-UHFFFAOYSA-N
XLogP1.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methyl-3-phenylmorpholine-4-carbonyl)azepan-2-one?
The IUPAC name of 7-(3-methyl-3-phenylmorpholine-4-carbonyl)azepan-2-one (CID 154760796) is 7-(3-methyl-3-phenylmorpholine-4-carbonyl)azepan-2-one.
What is the SMILES notation for 7-(3-methyl-3-phenylmorpholine-4-carbonyl)azepan-2-one?
The canonical SMILES for 7-(3-methyl-3-phenylmorpholine-4-carbonyl)azepan-2-one is CC1(c2ccccc2)COCCN1C(=O)C1CCCCC(=O)N1.
What is the InChIKey of 7-(3-methyl-3-phenylmorpholine-4-carbonyl)azepan-2-one?
The InChIKey is MRLXGALNUSZJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-18(14-7-3-2-4-8-14)13-23-12-11-20(18)17(22)15-9-5-6-10-16(21)19-15/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,19,21).
What are the key properties of 7-(3-methyl-3-phenylmorpholine-4-carbonyl)azepan-2-one?
7-(3-methyl-3-phenylmorpholine-4-carbonyl)azepan-2-one has a molecular weight of 316.40 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methyl-3-phenylmorpholine-4-carbonyl)azepan-2-one is sourced from PubChem (CID 154760796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).