N-butan-2-yl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide

C10H17N5O3 — CID 3155751

IUPACN-butan-2-yl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide
SMILESCCC(C)NC(=O)CN1C(=O)NC2NC(=O)NC21
InChIInChI=1S/C10H17N5O3/c1-3-5(2)11-6(16)4-15-8-7(13-10(15)18)12-9(17)14-8/h5,7-8H,3-4H2,1-2H3,(H,11,16)(H,13,18)(H2,12,14,17)
InChIKeyLUBLJNNKQRFOKK-UHFFFAOYSA-N
MW255.28 g/mol
LogP-1.11
Rot. Bonds4

About N-butan-2-yl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide

N-butan-2-yl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide (PubChem CID 3155751) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-butan-2-yl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide
PubChem CID3155751
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC NameN-butan-2-yl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide
SMILESCCC(C)NC(=O)CN1C(=O)NC2NC(=O)NC21
InChIInChI=1S/C10H17N5O3/c1-3-5(2)11-6(16)4-15-8-7(13-10(15)18)12-9(17)14-8/h5,7-8H,3-4H2,1-2H3,(H,11,16)(H,13,18)(H2,12,14,17)
InChIKeyLUBLJNNKQRFOKK-UHFFFAOYSA-N
XLogP-1.11
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide (CID 3155751) is N-butan-2-yl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide is CCC(C)NC(=O)CN1C(=O)NC2NC(=O)NC21.
What is the InChIKey of N-butan-2-yl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide?
The InChIKey is LUBLJNNKQRFOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-3-5(2)11-6(16)4-15-8-7(13-10(15)18)12-9(17)14-8/h5,7-8H,3-4H2,1-2H3,(H,11,16)(H,13,18)(H2,12,14,17).
What are the key properties of N-butan-2-yl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide?
N-butan-2-yl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide has a molecular weight of 255.28 g/mol, XLogP of -1.11, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide is sourced from PubChem (CID 3155751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).