2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetamide

C17H19N3O4 — CID 124607407

IUPAC2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetamide
SMILESCn1cc(NC(=O)C[C@H]2CCOc3ccccc32)c(=O)n(C)c1=O
InChIInChI=1S/C17H19N3O4/c1-19-10-13(16(22)20(2)17(19)23)18-15(21)9-11-7-8-24-14-6-4-3-5-12(11)14/h3-6,10-11H,7-9H2,1-2H3,(H,18,21)/t11-/m1/s1
InChIKeyXGRUAIRCBQCDGQ-LLVKDONJSA-N
MW329.36 g/mol
LogP0.98
Rot. Bonds3

About 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetamide

2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetamide (PubChem CID 124607407) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetamide
PubChem CID124607407
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetamide
SMILESCn1cc(NC(=O)C[C@H]2CCOc3ccccc32)c(=O)n(C)c1=O
InChIInChI=1S/C17H19N3O4/c1-19-10-13(16(22)20(2)17(19)23)18-15(21)9-11-7-8-24-14-6-4-3-5-12(11)14/h3-6,10-11H,7-9H2,1-2H3,(H,18,21)/t11-/m1/s1
InChIKeyXGRUAIRCBQCDGQ-LLVKDONJSA-N
XLogP0.98
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetamide with MolForge

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Related Compounds

N-[3-[[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]amino]phenyl]propanamide
CID 95771072
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
N-butan-2-yl-2-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 110680418
2-(3,4-dihydro-2H-chromen-4-yl)-N-pyrazin-2-ylacetamide
CID 75508730
N-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 18096764
2-(3,4-dihydro-2H-chromen-4-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110680430
2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide
CID 110680415
2-(3,4-dihydro-2H-chromen-4-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 110680431
1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one
CID 104769876
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
2-(3,4-dihydro-2H-chromen-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484603

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetamide?
The IUPAC name of 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetamide (CID 124607407) is 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetamide?
The canonical SMILES for 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetamide is Cn1cc(NC(=O)C[C@H]2CCOc3ccccc32)c(=O)n(C)c1=O.
What is the InChIKey of 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetamide?
The InChIKey is XGRUAIRCBQCDGQ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-19-10-13(16(22)20(2)17(19)23)18-15(21)9-11-7-8-24-14-6-4-3-5-12(11)14/h3-6,10-11H,7-9H2,1-2H3,(H,18,21)/t11-/m1/s1.
What are the key properties of 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetamide?
2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetamide is sourced from PubChem (CID 124607407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).