1-butan-2-yl-3-(2-methyl-1-phenylpropan-2-yl)urea

C15H24N2O — CID 110628349

IUPAC1-butan-2-yl-3-(2-methyl-1-phenylpropan-2-yl)urea
SMILESCCC(C)NC(=O)NC(C)(C)Cc1ccccc1
InChIInChI=1S/C15H24N2O/c1-5-12(2)16-14(18)17-15(3,4)11-13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3,(H2,16,17,18)
InChIKeyYAMLXSZYQXXMIG-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.11
Rot. Bonds5

About 1-butan-2-yl-3-(2-methyl-1-phenylpropan-2-yl)urea

1-butan-2-yl-3-(2-methyl-1-phenylpropan-2-yl)urea (PubChem CID 110628349) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-butan-2-yl-3-(2-methyl-1-phenylpropan-2-yl)urea.

Molecular Properties

Compound Name1-butan-2-yl-3-(2-methyl-1-phenylpropan-2-yl)urea
PubChem CID110628349
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-butan-2-yl-3-(2-methyl-1-phenylpropan-2-yl)urea
SMILESCCC(C)NC(=O)NC(C)(C)Cc1ccccc1
InChIInChI=1S/C15H24N2O/c1-5-12(2)16-14(18)17-15(3,4)11-13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3,(H2,16,17,18)
InChIKeyYAMLXSZYQXXMIG-UHFFFAOYSA-N
XLogP3.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-butan-2-ylurea
CID 10512480
2,2-dimethyl-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 56921353
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 2784737
1-ethyl-1-methyl-3-(2-methyl-1-phenylpropan-2-yl)urea
CID 114264076
1-(2-benzylphenyl)-3-butan-2-ylurea
CID 75833712
2-ethyl-N'-(2-methyl-1-phenylpropan-2-yl)butanehydrazide
CID 110168185
2-methoxy-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 84570069
1-[2-methyl-1-(4-methylphenyl)propan-2-yl]-3-phenylurea
CID 110410273
2-(3-methylpentan-3-ylcarbamoylamino)-3-phenylpropanoic acid
CID 106330586
methyl 2-[(2-methyl-1-phenylpropan-2-yl)carbamoylamino]benzoate
CID 23963869
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 61187307

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(2-methyl-1-phenylpropan-2-yl)urea?
The IUPAC name of 1-butan-2-yl-3-(2-methyl-1-phenylpropan-2-yl)urea (CID 110628349) is 1-butan-2-yl-3-(2-methyl-1-phenylpropan-2-yl)urea.
What is the SMILES notation for 1-butan-2-yl-3-(2-methyl-1-phenylpropan-2-yl)urea?
The canonical SMILES for 1-butan-2-yl-3-(2-methyl-1-phenylpropan-2-yl)urea is CCC(C)NC(=O)NC(C)(C)Cc1ccccc1.
What is the InChIKey of 1-butan-2-yl-3-(2-methyl-1-phenylpropan-2-yl)urea?
The InChIKey is YAMLXSZYQXXMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-12(2)16-14(18)17-15(3,4)11-13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-butan-2-yl-3-(2-methyl-1-phenylpropan-2-yl)urea?
1-butan-2-yl-3-(2-methyl-1-phenylpropan-2-yl)urea has a molecular weight of 248.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(2-methyl-1-phenylpropan-2-yl)urea is sourced from PubChem (CID 110628349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).