N-cyclohexyl-2-[3-(4-methylphenyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide

C25H33N3O4 — CID 73328251

IUPACN-cyclohexyl-2-[3-(4-methylphenyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
SMILESCc1ccc(N2C(=O)C3OC4CCCCC4C3N(CC(=O)NC3CCCCC3)C2=O)cc1
InChIInChI=1S/C25H33N3O4/c1-16-11-13-18(14-12-16)28-24(30)23-22(19-9-5-6-10-20(19)32-23)27(25(28)31)15-21(29)26-17-7-3-2-4-8-17/h11-14,17,19-20,22-23H,2-10,15H2,1H3,(H,26,29)
InChIKeyBZMBINZQVGRJLR-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.54
Rot. Bonds4

About N-cyclohexyl-2-[3-(4-methylphenyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide

N-cyclohexyl-2-[3-(4-methylphenyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide (PubChem CID 73328251) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-(4-methylphenyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-(4-methylphenyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
PubChem CID73328251
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC NameN-cyclohexyl-2-[3-(4-methylphenyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
SMILESCc1ccc(N2C(=O)C3OC4CCCCC4C3N(CC(=O)NC3CCCCC3)C2=O)cc1
InChIInChI=1S/C25H33N3O4/c1-16-11-13-18(14-12-16)28-24(30)23-22(19-9-5-6-10-20(19)32-23)27(25(28)31)15-21(29)26-17-7-3-2-4-8-17/h11-14,17,19-20,22-23H,2-10,15H2,1H3,(H,26,29)
InChIKeyBZMBINZQVGRJLR-UHFFFAOYSA-N
XLogP3.54
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-2-[3-(4-methylphenyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide with MolForge

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Related Compounds

2-[3-(4-fluorophenyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 73451132
2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 73328242
ethyl 4-[[2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)acetyl]amino]benzoate
CID 73451114
2-[3-[2-(cyclopropylamino)-2-oxoethyl]-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-phenylacetamide
CID 75270536
2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 73202173
N-(2,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 73451134
1-(2-morpholin-4-yl-2-oxoethyl)-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
CID 78460839
N-cyclohexyl-2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2439184
N-cyclopropyl-2-[4-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]phenyl]acetamide
CID 74824642
N-cyclohexyl-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 17376689
N-cyclopropyl-2-[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 95051566
N-cyclopentyl-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
CID 83277662

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-(4-methylphenyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[3-(4-methylphenyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide (CID 73328251) is N-cyclohexyl-2-[3-(4-methylphenyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-(4-methylphenyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[3-(4-methylphenyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide is Cc1ccc(N2C(=O)C3OC4CCCCC4C3N(CC(=O)NC3CCCCC3)C2=O)cc1.
What is the InChIKey of N-cyclohexyl-2-[3-(4-methylphenyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide?
The InChIKey is BZMBINZQVGRJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-16-11-13-18(14-12-16)28-24(30)23-22(19-9-5-6-10-20(19)32-23)27(25(28)31)15-21(29)26-17-7-3-2-4-8-17/h11-14,17,19-20,22-23H,2-10,15H2,1H3,(H,26,29).
What are the key properties of N-cyclohexyl-2-[3-(4-methylphenyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide?
N-cyclohexyl-2-[3-(4-methylphenyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide has a molecular weight of 439.56 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-(4-methylphenyl)-2,4-dioxo-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 73328251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).