N-tert-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide

C9H15N3O2 — CID 23629741

IUPACN-tert-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
SMILESCC(C)(C)NC(=O)Cc1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-9(2,3)12-7(13)4-6-5-10-8(14)11-6/h5H,4H2,1-3H3,(H,12,13)(H2,10,11,14)
InChIKeyIUZRIPWJJPFYGH-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.16
Rot. Bonds2

About N-tert-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide

N-tert-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide (PubChem CID 23629741) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-tert-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
PubChem CID23629741
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-tert-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
SMILESCC(C)(C)NC(=O)Cc1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-9(2,3)12-7(13)4-6-5-10-8(14)11-6/h5H,4H2,1-3H3,(H,12,13)(H2,10,11,14)
InChIKeyIUZRIPWJJPFYGH-UHFFFAOYSA-N
XLogP0.16
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide
CID 71019097
2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]propanamide
CID 71019090
2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide
CID 71019100
N-[2-(3-ethyl-1,2-dihydroimidazol-5-yl)ethyl]acetamide
CID 142959961
N-[2-(3-methyl-1-propyl-2H-imidazol-4-yl)ethyl]acetamide
CID 142959966
2-Methyl-1,2,3,4a,5,6-hexahydropyrrolo[3,4-d]pyrimidin-4-one
CID 164000537
(Z)-4-amino-3-[[carbamoyl(methyl)carbamoyl]amino]but-3-enamide
CID 164055200
N,N-diethyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
CID 23629707
2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-propylacetamide
CID 23629708
2-(2-oxo-1,3-dihydroimidazol-4-yl)-N,N-dipropylacetamide
CID 23629709
2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-propan-2-ylacetamide
CID 23629710
2-(2-oxo-1,3-dihydroimidazol-4-yl)-N,N-di(propan-2-yl)acetamide
CID 23629711

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide (CID 23629741) is N-tert-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide is CC(C)(C)NC(=O)Cc1c[nH]c(=O)[nH]1.
What is the InChIKey of N-tert-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide?
The InChIKey is IUZRIPWJJPFYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(2,3)12-7(13)4-6-5-10-8(14)11-6/h5H,4H2,1-3H3,(H,12,13)(H2,10,11,14).
What are the key properties of N-tert-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide?
N-tert-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide has a molecular weight of 197.24 g/mol, XLogP of 0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide is sourced from PubChem (CID 23629741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).