N-[1-(1-adamantyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide

C18H25N3O3 — CID 17449566

IUPACN-[1-(1-adamantyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESCC(NC(=O)Cn1ccc(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25N3O3/c1-11(18-7-12-4-13(8-18)6-14(5-12)9-18)19-16(23)10-21-3-2-15(22)20-17(21)24/h2-3,11-14H,4-10H2,1H3,(H,19,23)(H,20,22,24)
InChIKeyIHFANBPPZBCNMR-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.26
Rot. Bonds4

About N-[1-(1-adamantyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide

N-[1-(1-adamantyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 17449566) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID17449566
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[1-(1-adamantyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESCC(NC(=O)Cn1ccc(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25N3O3/c1-11(18-7-12-4-13(8-18)6-14(5-12)9-18)19-16(23)10-21-3-2-15(22)20-17(21)24/h2-3,11-14H,4-10H2,1H3,(H,19,23)(H,20,22,24)
InChIKeyIHFANBPPZBCNMR-UHFFFAOYSA-N
XLogP1.26
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(1-adamantyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide (CID 17449566) is N-[1-(1-adamantyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide is CC(NC(=O)Cn1ccc(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is IHFANBPPZBCNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-11(18-7-12-4-13(8-18)6-14(5-12)9-18)19-16(23)10-21-3-2-15(22)20-17(21)24/h2-3,11-14H,4-10H2,1H3,(H,19,23)(H,20,22,24).
What are the key properties of N-[1-(1-adamantyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
N-[1-(1-adamantyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 331.42 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 17449566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).