N-(1-methoxy-3-phenylpropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C17H21N3O4 — CID 45280814

IUPACN-(1-methoxy-3-phenylpropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCOCC(Cc1ccccc1)NC(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C17H21N3O4/c1-12-9-20(17(23)19-16(12)22)10-15(21)18-14(11-24-2)8-13-6-4-3-5-7-13/h3-7,9,14H,8,10-11H2,1-2H3,(H,18,21)(H,19,22,23)
InChIKeyCXJWUTSGTOGZHN-UHFFFAOYSA-N
MW331.37 g/mol
LogP0.22
Rot. Bonds7

About N-(1-methoxy-3-phenylpropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-(1-methoxy-3-phenylpropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 45280814) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-(1-methoxy-3-phenylpropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-methoxy-3-phenylpropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID45280814
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-(1-methoxy-3-phenylpropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCOCC(Cc1ccccc1)NC(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C17H21N3O4/c1-12-9-20(17(23)19-16(12)22)10-15(21)18-14(11-24-2)8-13-6-4-3-5-7-13/h3-7,9,14H,8,10-11H2,1-2H3,(H,18,21)(H,19,22,23)
InChIKeyCXJWUTSGTOGZHN-UHFFFAOYSA-N
XLogP0.22
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-phenylpropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(1-methoxy-3-phenylpropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 45280814) is N-(1-methoxy-3-phenylpropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(1-methoxy-3-phenylpropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(1-methoxy-3-phenylpropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is COCC(Cc1ccccc1)NC(=O)Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of N-(1-methoxy-3-phenylpropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is CXJWUTSGTOGZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-12-9-20(17(23)19-16(12)22)10-15(21)18-14(11-24-2)8-13-6-4-3-5-7-13/h3-7,9,14H,8,10-11H2,1-2H3,(H,18,21)(H,19,22,23).
What are the key properties of N-(1-methoxy-3-phenylpropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-(1-methoxy-3-phenylpropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 331.37 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-phenylpropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 45280814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).