6-methyl-4-(2-methyl-2-morpholin-4-ylpropyl)-6-morpholin-4-ylcyclohexa-2,4-dien-1-one

C19H30N2O3 — CID 175558356

IUPAC6-methyl-4-(2-methyl-2-morpholin-4-ylpropyl)-6-morpholin-4-ylcyclohexa-2,4-dien-1-one
SMILESCC(C)(CC1=CC(C)(N2CCOCC2)C(=O)C=C1)N1CCOCC1
InChIInChI=1S/C19H30N2O3/c1-18(2,20-6-10-23-11-7-20)14-16-4-5-17(22)19(3,15-16)21-8-12-24-13-9-21/h4-5,15H,6-14H2,1-3H3
InChIKeyDLSIAQAJHDQUOL-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.64
Rot. Bonds4

About 6-methyl-4-(2-methyl-2-morpholin-4-ylpropyl)-6-morpholin-4-ylcyclohexa-2,4-dien-1-one

6-methyl-4-(2-methyl-2-morpholin-4-ylpropyl)-6-morpholin-4-ylcyclohexa-2,4-dien-1-one (PubChem CID 175558356) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 6-methyl-4-(2-methyl-2-morpholin-4-ylpropyl)-6-morpholin-4-ylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-methyl-4-(2-methyl-2-morpholin-4-ylpropyl)-6-morpholin-4-ylcyclohexa-2,4-dien-1-one
PubChem CID175558356
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name6-methyl-4-(2-methyl-2-morpholin-4-ylpropyl)-6-morpholin-4-ylcyclohexa-2,4-dien-1-one
SMILESCC(C)(CC1=CC(C)(N2CCOCC2)C(=O)C=C1)N1CCOCC1
InChIInChI=1S/C19H30N2O3/c1-18(2,20-6-10-23-11-7-20)14-16-4-5-17(22)19(3,15-16)21-8-12-24-13-9-21/h4-5,15H,6-14H2,1-3H3
InChIKeyDLSIAQAJHDQUOL-UHFFFAOYSA-N
XLogP1.64
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(2-methyl-2-morpholin-4-ylpropyl)-6-morpholin-4-ylcyclohexa-2,4-dien-1-one?
The IUPAC name of 6-methyl-4-(2-methyl-2-morpholin-4-ylpropyl)-6-morpholin-4-ylcyclohexa-2,4-dien-1-one (CID 175558356) is 6-methyl-4-(2-methyl-2-morpholin-4-ylpropyl)-6-morpholin-4-ylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-methyl-4-(2-methyl-2-morpholin-4-ylpropyl)-6-morpholin-4-ylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-methyl-4-(2-methyl-2-morpholin-4-ylpropyl)-6-morpholin-4-ylcyclohexa-2,4-dien-1-one is CC(C)(CC1=CC(C)(N2CCOCC2)C(=O)C=C1)N1CCOCC1.
What is the InChIKey of 6-methyl-4-(2-methyl-2-morpholin-4-ylpropyl)-6-morpholin-4-ylcyclohexa-2,4-dien-1-one?
The InChIKey is DLSIAQAJHDQUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-18(2,20-6-10-23-11-7-20)14-16-4-5-17(22)19(3,15-16)21-8-12-24-13-9-21/h4-5,15H,6-14H2,1-3H3.
What are the key properties of 6-methyl-4-(2-methyl-2-morpholin-4-ylpropyl)-6-morpholin-4-ylcyclohexa-2,4-dien-1-one?
6-methyl-4-(2-methyl-2-morpholin-4-ylpropyl)-6-morpholin-4-ylcyclohexa-2,4-dien-1-one has a molecular weight of 334.46 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(2-methyl-2-morpholin-4-ylpropyl)-6-morpholin-4-ylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 175558356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).