N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C16H26N4O5 — CID 91762804

IUPACN-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1cn(CC(=O)N[C@@H]2CCOC[C@H]2OCCN(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N4O5/c1-11-8-20(16(23)18-15(11)22)9-14(21)17-12-4-6-24-10-13(12)25-7-5-19(2)3/h8,12-13H,4-7,9-10H2,1-3H3,(H,17,21)(H,18,22,23)/t12-,13-/m1/s1
InChIKeyVGNCSPLJQWFXLX-CHWSQXEVSA-N
MW354.41 g/mol
LogP-1.30
Rot. Bonds7

About N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 91762804) has the molecular formula C16H26N4O5 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID91762804
Molecular FormulaC16H26N4O5
Molecular Weight354.41 g/mol
Exact Mass354.19
IUPAC NameN-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1cn(CC(=O)N[C@@H]2CCOC[C@H]2OCCN(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N4O5/c1-11-8-20(16(23)18-15(11)22)9-14(21)17-12-4-6-24-10-13(12)25-7-5-19(2)3/h8,12-13H,4-7,9-10H2,1-3H3,(H,17,21)(H,18,22,23)/t12-,13-/m1/s1
InChIKeyVGNCSPLJQWFXLX-CHWSQXEVSA-N
XLogP-1.30
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 91762804) is N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is Cc1cn(CC(=O)N[C@@H]2CCOC[C@H]2OCCN(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is VGNCSPLJQWFXLX-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H26N4O5/c1-11-8-20(16(23)18-15(11)22)9-14(21)17-12-4-6-24-10-13(12)25-7-5-19(2)3/h8,12-13H,4-7,9-10H2,1-3H3,(H,17,21)(H,18,22,23)/t12-,13-/m1/s1.
What are the key properties of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 354.41 g/mol, XLogP of -1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 91762804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).