3,6,6-trimethyl-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide

C19H28N2O4 — CID 2983807

IUPAC3,6,6-trimethyl-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCCN2CCOCC2)oc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C19H28N2O4/c1-13-16-14(22)11-19(2,3)12-15(16)25-17(13)18(23)20-5-4-6-21-7-9-24-10-8-21/h4-12H2,1-3H3,(H,20,23)
InChIKeyKCAFFBUYTONTGI-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.20
Rot. Bonds5

About 3,6,6-trimethyl-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide

3,6,6-trimethyl-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide (PubChem CID 2983807) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 3,6,6-trimethyl-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,6,6-trimethyl-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
PubChem CID2983807
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name3,6,6-trimethyl-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCCN2CCOCC2)oc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C19H28N2O4/c1-13-16-14(22)11-19(2,3)12-15(16)25-17(13)18(23)20-5-4-6-21-7-9-24-10-8-21/h4-12H2,1-3H3,(H,20,23)
InChIKeyKCAFFBUYTONTGI-UHFFFAOYSA-N
XLogP2.20
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,6,6-trimethyl-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

STAT3 inhibitor 8q
CID 137321152
2-methyl-N-(3-morpholin-4-ylpropyl)-4,9-dioxo-4,9-dihydronaphtho[2,3-b]furan-3-carboxamide
CID 1631709
3,6,6-trimethyl-2-[(4-methyl-1-piperazinyl)carbonyl]-6,7-dihydro-1-benzofuran-4(5H)-one
CID 972346
N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide
CID 155512557
N-ethyl-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
CID 972463
3,6,6-trimethyl-2-(4-morpholinylcarbonyl)-6,7-dihydro-1-benzofuran-4(5H)-one
CID 973170
N-benzyl-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
CID 3244379
2-[(4-benzylpiperazin-1-yl)carbonyl]-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one
CID 4908585
N-cyclohexyl-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
CID 972762
2-[(4-benzylpiperazin-1-yl)carbonyl]-3-methyl-6,7-dihydro-1-benzofuran-4(5H)-one
CID 4910502
N,3,6,6-tetramethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
CID 2986607
3-Methyl-N~2~-(1-methyl-3-phenylpropyl)-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
CID 20885993

Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 3,6,6-trimethyl-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide (CID 2983807) is 3,6,6-trimethyl-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,6,6-trimethyl-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,6,6-trimethyl-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCCCN2CCOCC2)oc2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 3,6,6-trimethyl-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is KCAFFBUYTONTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-13-16-14(22)11-19(2,3)12-15(16)25-17(13)18(23)20-5-4-6-21-7-9-24-10-8-21/h4-12H2,1-3H3,(H,20,23).
What are the key properties of 3,6,6-trimethyl-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide?
3,6,6-trimethyl-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-N-(3-morpholin-4-ylpropyl)-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2983807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).