3-(3-methyl-2-propan-2-ylbut-2-enyl)-1,1-di(propan-2-yl)urea

C15H30N2O — CID 58801021

IUPAC3-(3-methyl-2-propan-2-ylbut-2-enyl)-1,1-di(propan-2-yl)urea
SMILESCC(C)=C(CNC(=O)N(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C15H30N2O/c1-10(2)14(11(3)4)9-16-15(18)17(12(5)6)13(7)8/h10,12-13H,9H2,1-8H3,(H,16,18)
InChIKeyLZRWZYLVIGFLSK-UHFFFAOYSA-N
MW254.42 g/mol
LogP3.81
Rot. Bonds5

About 3-(3-methyl-2-propan-2-ylbut-2-enyl)-1,1-di(propan-2-yl)urea

3-(3-methyl-2-propan-2-ylbut-2-enyl)-1,1-di(propan-2-yl)urea (PubChem CID 58801021) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-(3-methyl-2-propan-2-ylbut-2-enyl)-1,1-di(propan-2-yl)urea.

Molecular Properties

Compound Name3-(3-methyl-2-propan-2-ylbut-2-enyl)-1,1-di(propan-2-yl)urea
PubChem CID58801021
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-(3-methyl-2-propan-2-ylbut-2-enyl)-1,1-di(propan-2-yl)urea
SMILESCC(C)=C(CNC(=O)N(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C15H30N2O/c1-10(2)14(11(3)4)9-16-15(18)17(12(5)6)13(7)8/h10,12-13H,9H2,1-8H3,(H,16,18)
InChIKeyLZRWZYLVIGFLSK-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(3-methyl-2-propan-2-ylbut-2-enyl)propanamide;2-methylpropanoic acid;2-methylpropanoyl chloride;3-methyl-2-propan-2-ylbut-2-en-1-amine
CID 158990437
2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine;methane
CID 159210280
3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,1-di(propan-2-yl)urea
CID 71672282
(3-methyl-2-oxobutyl)urea
CID 20600814
1-(dimethylsulfamoylamino)-3-methyl-2-oxobutane
CID 64996112
1-N,4-N-bis(3-methyl-2-oxobutyl)cyclohexane-1,4-dicarboxamide
CID 59440307
1,1-di(butan-2-yl)-3-[6-[di(butan-2-yl)carbamoylamino]hexyl]urea
CID 3090457
2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid
CID 114618116
ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate
CID 43445755
3-[2-[di(propan-2-yl)carbamoylamino]ethyl]benzoic acid
CID 166290393
1-(1-hydroxyethenylamino)-3-methylbutan-2-one
CID 178093816
4-[(3-methyl-2-oxobutyl)amino]-4-oxobutanethioic S-acid
CID 146619598

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-propan-2-ylbut-2-enyl)-1,1-di(propan-2-yl)urea?
The IUPAC name of 3-(3-methyl-2-propan-2-ylbut-2-enyl)-1,1-di(propan-2-yl)urea (CID 58801021) is 3-(3-methyl-2-propan-2-ylbut-2-enyl)-1,1-di(propan-2-yl)urea.
What is the SMILES notation for 3-(3-methyl-2-propan-2-ylbut-2-enyl)-1,1-di(propan-2-yl)urea?
The canonical SMILES for 3-(3-methyl-2-propan-2-ylbut-2-enyl)-1,1-di(propan-2-yl)urea is CC(C)=C(CNC(=O)N(C(C)C)C(C)C)C(C)C.
What is the InChIKey of 3-(3-methyl-2-propan-2-ylbut-2-enyl)-1,1-di(propan-2-yl)urea?
The InChIKey is LZRWZYLVIGFLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-10(2)14(11(3)4)9-16-15(18)17(12(5)6)13(7)8/h10,12-13H,9H2,1-8H3,(H,16,18).
What are the key properties of 3-(3-methyl-2-propan-2-ylbut-2-enyl)-1,1-di(propan-2-yl)urea?
3-(3-methyl-2-propan-2-ylbut-2-enyl)-1,1-di(propan-2-yl)urea has a molecular weight of 254.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-propan-2-ylbut-2-enyl)-1,1-di(propan-2-yl)urea is sourced from PubChem (CID 58801021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).