N,N-di(butan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide

C12H21N3O2 — CID 23629777

IUPACN,N-di(butan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCCC(C)N(C(=O)c1c[nH]c(=O)[nH]1)C(C)CC
InChIInChI=1S/C12H21N3O2/c1-5-8(3)15(9(4)6-2)11(16)10-7-13-12(17)14-10/h7-9H,5-6H2,1-4H3,(H2,13,14,17)
InChIKeyLVFPBGNHEJVGPG-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.74
Rot. Bonds5

About N,N-di(butan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide

N,N-di(butan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 23629777) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N,N-di(butan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN,N-di(butan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID23629777
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN,N-di(butan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCCC(C)N(C(=O)c1c[nH]c(=O)[nH]1)C(C)CC
InChIInChI=1S/C12H21N3O2/c1-5-8(3)15(9(4)6-2)11(16)10-7-13-12(17)14-10/h7-9H,5-6H2,1-4H3,(H2,13,14,17)
InChIKeyLVFPBGNHEJVGPG-UHFFFAOYSA-N
XLogP1.74
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-di(butan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N,N-di(butan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 23629777) is N,N-di(butan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N,N-di(butan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N,N-di(butan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is CCC(C)N(C(=O)c1c[nH]c(=O)[nH]1)C(C)CC.
What is the InChIKey of N,N-di(butan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is LVFPBGNHEJVGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-8(3)15(9(4)6-2)11(16)10-7-13-12(17)14-10/h7-9H,5-6H2,1-4H3,(H2,13,14,17).
What are the key properties of N,N-di(butan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N,N-di(butan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(butan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 23629777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).