N-(1-adamantyl)-2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetamide

C18H25N3O3 — CID 42923571

IUPACN-(1-adamantyl)-2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetamide
SMILESO=C(CN1C(=O)C2CCCN2C1=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25N3O3/c22-15(10-21-16(23)14-2-1-3-20(14)17(21)24)19-18-7-11-4-12(8-18)6-13(5-11)9-18/h11-14H,1-10H2,(H,19,22)
InChIKeyCJXFTPDEXHNUHZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.50
Rot. Bonds3

About N-(1-adamantyl)-2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetamide

N-(1-adamantyl)-2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetamide (PubChem CID 42923571) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetamide
PubChem CID42923571
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-(1-adamantyl)-2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetamide
SMILESO=C(CN1C(=O)C2CCCN2C1=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25N3O3/c22-15(10-21-16(23)14-2-1-3-20(14)17(21)24)19-18-7-11-4-12(8-18)6-13(5-11)9-18/h11-14H,1-10H2,(H,19,22)
InChIKeyCJXFTPDEXHNUHZ-UHFFFAOYSA-N
XLogP1.50
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetamide (CID 42923571) is N-(1-adamantyl)-2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetamide is O=C(CN1C(=O)C2CCCN2C1=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetamide?
The InChIKey is CJXFTPDEXHNUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-15(10-21-16(23)14-2-1-3-20(14)17(21)24)19-18-7-11-4-12(8-18)6-13(5-11)9-18/h11-14H,1-10H2,(H,19,22).
What are the key properties of N-(1-adamantyl)-2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetamide?
N-(1-adamantyl)-2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetamide has a molecular weight of 331.42 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetamide is sourced from PubChem (CID 42923571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).