1-tert-butyl-3-(3-oxopentan-2-yl)urea

C10H20N2O2 — CID 64994030

IUPAC1-tert-butyl-3-(3-oxopentan-2-yl)urea
SMILESCCC(=O)C(C)NC(=O)NC(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-6-8(13)7(2)11-9(14)12-10(3,4)5/h7H,6H2,1-5H3,(H2,11,12,14)
InChIKeyJNHIMDNTVVJBPM-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.45
Rot. Bonds3

About 1-tert-butyl-3-(3-oxopentan-2-yl)urea

1-tert-butyl-3-(3-oxopentan-2-yl)urea (PubChem CID 64994030) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-oxopentan-2-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(3-oxopentan-2-yl)urea
PubChem CID64994030
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-tert-butyl-3-(3-oxopentan-2-yl)urea
SMILESCCC(=O)C(C)NC(=O)NC(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-6-8(13)7(2)11-9(14)12-10(3,4)5/h7H,6H2,1-5H3,(H2,11,12,14)
InChIKeyJNHIMDNTVVJBPM-UHFFFAOYSA-N
XLogP1.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-(2,2-dimethyl-4-oxohexan-3-yl)urea
CID 88922406
2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide
CID 126726603
2-(tert-butylcarbamoylamino)-N-propan-2-ylpropanamide
CID 116657668
tert-butyl N-(3-oxopentan-2-yl)carbamate
CID 64996768
N-(3-oxopentan-2-yl)carbamoyl chloride
CID 155280819
1-tert-butyl-3-[(2S)-3,3-dimethylbutan-2-yl]urea
CID 159105073
2-methyl-N-(3-oxopentan-2-yl)propanamide
CID 64991731
2-(tert-butylcarbamoylamino)-N-cyclopropylpropanamide
CID 115585441
1-tert-butyl-3-(1-methylsulfanylpropan-2-yl)urea
CID 115693458
2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 106330759
3-(tert-butylcarbamoylamino)butanamide
CID 115695141
3,3,3-trifluoro-N-(3-oxopentan-2-yl)propanamide
CID 64997000

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3-oxopentan-2-yl)urea?
The IUPAC name of 1-tert-butyl-3-(3-oxopentan-2-yl)urea (CID 64994030) is 1-tert-butyl-3-(3-oxopentan-2-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(3-oxopentan-2-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(3-oxopentan-2-yl)urea is CCC(=O)C(C)NC(=O)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-(3-oxopentan-2-yl)urea?
The InChIKey is JNHIMDNTVVJBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-6-8(13)7(2)11-9(14)12-10(3,4)5/h7H,6H2,1-5H3,(H2,11,12,14).
What are the key properties of 1-tert-butyl-3-(3-oxopentan-2-yl)urea?
1-tert-butyl-3-(3-oxopentan-2-yl)urea has a molecular weight of 200.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3-oxopentan-2-yl)urea is sourced from PubChem (CID 64994030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).