(4,4-dimethyl-3-oxopentan-2-yl)urea

C8H16N2O2 — CID 58728668

IUPAC(4,4-dimethyl-3-oxopentan-2-yl)urea
SMILESCC(NC(N)=O)C(=O)C(C)(C)C
InChIInChI=1S/C8H16N2O2/c1-5(10-7(9)12)6(11)8(2,3)4/h5H,1-4H3,(H3,9,10,12)
InChIKeyYBJNEDKGPSXAML-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.66
Rot. Bonds2

About (4,4-dimethyl-3-oxopentan-2-yl)urea

(4,4-dimethyl-3-oxopentan-2-yl)urea (PubChem CID 58728668) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (4,4-dimethyl-3-oxopentan-2-yl)urea.

Molecular Properties

Compound Name(4,4-dimethyl-3-oxopentan-2-yl)urea
PubChem CID58728668
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(4,4-dimethyl-3-oxopentan-2-yl)urea
SMILESCC(NC(N)=O)C(=O)C(C)(C)C
InChIInChI=1S/C8H16N2O2/c1-5(10-7(9)12)6(11)8(2,3)4/h5H,1-4H3,(H3,9,10,12)
InChIKeyYBJNEDKGPSXAML-UHFFFAOYSA-N
XLogP0.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate
CID 72641150
(4S)-2,2-dimethyl-4-(methylamino)pentan-3-one;sulfane
CID 160564575
methyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate
CID 7024878
N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methyl-2-(propanoylamino)butanamide
CID 146263980
N-(1-amino-1-sulfanylidenepropan-2-yl)-2,2-dimethylpropanamide
CID 61119877
(2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide
CID 166671320
(2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-2-hydroxy-2-phenylpropanamide
CID 58533163
1-(4,4-dimethyl-3-oxopentan-2-yl)-3-[2-(methylamino)ethyl]urea
CID 129026706
methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoate
CID 61265011
[1-(carbamoylamino)-2-methylpropyl]urea
CID 22478
(2S)-2-(carbamoylamino)-3,3-dimethylbutanamide
CID 130628762
3-[(4,4-dimethyl-3-oxopentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 176949294

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-3-oxopentan-2-yl)urea?
The IUPAC name of (4,4-dimethyl-3-oxopentan-2-yl)urea (CID 58728668) is (4,4-dimethyl-3-oxopentan-2-yl)urea.
What is the SMILES notation for (4,4-dimethyl-3-oxopentan-2-yl)urea?
The canonical SMILES for (4,4-dimethyl-3-oxopentan-2-yl)urea is CC(NC(N)=O)C(=O)C(C)(C)C.
What is the InChIKey of (4,4-dimethyl-3-oxopentan-2-yl)urea?
The InChIKey is YBJNEDKGPSXAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-5(10-7(9)12)6(11)8(2,3)4/h5H,1-4H3,(H3,9,10,12).
What are the key properties of (4,4-dimethyl-3-oxopentan-2-yl)urea?
(4,4-dimethyl-3-oxopentan-2-yl)urea has a molecular weight of 172.23 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-3-oxopentan-2-yl)urea is sourced from PubChem (CID 58728668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).