N-[3-(dibutylamino)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C18H32N4O3 — CID 53299296

IUPACN-[3-(dibutylamino)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCCCCN(CCCC)CCCNC(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C18H32N4O3/c1-4-6-10-21(11-7-5-2)12-8-9-19-16(23)14-22-13-15(3)17(24)20-18(22)25/h13H,4-12,14H2,1-3H3,(H,19,23)(H,20,24,25)
InChIKeyHUNLNTCLQGLGFG-UHFFFAOYSA-N
MW352.48 g/mol
LogP1.25
Rot. Bonds12

About N-[3-(dibutylamino)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-[3-(dibutylamino)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 53299296) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[3-(dibutylamino)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(dibutylamino)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID53299296
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC NameN-[3-(dibutylamino)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCCCCN(CCCC)CCCNC(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C18H32N4O3/c1-4-6-10-21(11-7-5-2)12-8-9-19-16(23)14-22-13-15(3)17(24)20-18(22)25/h13H,4-12,14H2,1-3H3,(H,19,23)(H,20,24,25)
InChIKeyHUNLNTCLQGLGFG-UHFFFAOYSA-N
XLogP1.25
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dibutylamino)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[3-(dibutylamino)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 53299296) is N-[3-(dibutylamino)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[3-(dibutylamino)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[3-(dibutylamino)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is CCCCN(CCCC)CCCNC(=O)Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of N-[3-(dibutylamino)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is HUNLNTCLQGLGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-4-6-10-21(11-7-5-2)12-8-9-19-16(23)14-22-13-15(3)17(24)20-18(22)25/h13H,4-12,14H2,1-3H3,(H,19,23)(H,20,24,25).
What are the key properties of N-[3-(dibutylamino)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-[3-(dibutylamino)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 352.48 g/mol, XLogP of 1.25, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dibutylamino)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 53299296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).