1-methyl-3-(3-methylbutan-2-yl)urea

C7H16N2O — CID 115575176

IUPAC1-methyl-3-(3-methylbutan-2-yl)urea
SMILESCNC(=O)NC(C)C(C)C
InChIInChI=1S/C7H16N2O/c1-5(2)6(3)9-7(10)8-4/h5-6H,1-4H3,(H2,8,9,10)
InChIKeyUFUDYZUTJCLWEH-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.96
Rot. Bonds2

About 1-methyl-3-(3-methylbutan-2-yl)urea

1-methyl-3-(3-methylbutan-2-yl)urea (PubChem CID 115575176) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-methyl-3-(3-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(3-methylbutan-2-yl)urea
PubChem CID115575176
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name1-methyl-3-(3-methylbutan-2-yl)urea
SMILESCNC(=O)NC(C)C(C)C
InChIInChI=1S/C7H16N2O/c1-5(2)6(3)9-7(10)8-4/h5-6H,1-4H3,(H2,8,9,10)
InChIKeyUFUDYZUTJCLWEH-UHFFFAOYSA-N
XLogP0.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-but-3-yn-2-yl-3-(3-methylbutan-2-yl)urea
CID 130891248
1-(1-aminoethyl)-3-methylurea
CID 89495208
N-methyl-2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 60695644
1,3-dimethylurea
CID 163366790
1,3-dimethylurea
CID 7293
methyl N-(3-methylbutan-2-yl)carbamate
CID 3614647
(2R)-2-hydroxy-N-(3-methylbutan-2-yl)propanamide
CID 131207003
2-hydroxy-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 172508602
1-(methylcarbamoylamino)ethyl-oxophosphanium
CID 173454596
2,3-dimethyl-4-(3-methylbutan-2-ylcarbamoylamino)-4-oxobut-2-enoic acid
CID 76991941
(2R)-4-methyl-2-(3-methylbutan-2-ylcarbamoylamino)pentanoic acid
CID 78976126
N-methyl-3-(3-methylbutan-2-ylcarbamoylamino)benzamide
CID 51080300

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylbutan-2-yl)urea?
The IUPAC name of 1-methyl-3-(3-methylbutan-2-yl)urea (CID 115575176) is 1-methyl-3-(3-methylbutan-2-yl)urea.
What is the SMILES notation for 1-methyl-3-(3-methylbutan-2-yl)urea?
The canonical SMILES for 1-methyl-3-(3-methylbutan-2-yl)urea is CNC(=O)NC(C)C(C)C.
What is the InChIKey of 1-methyl-3-(3-methylbutan-2-yl)urea?
The InChIKey is UFUDYZUTJCLWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-5(2)6(3)9-7(10)8-4/h5-6H,1-4H3,(H2,8,9,10).
What are the key properties of 1-methyl-3-(3-methylbutan-2-yl)urea?
1-methyl-3-(3-methylbutan-2-yl)urea has a molecular weight of 144.22 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylbutan-2-yl)urea is sourced from PubChem (CID 115575176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).