1-butan-2-yl-3-[2-(2,4-dimethylphenyl)ethyl]urea

C15H24N2O — CID 60590409

IUPAC1-butan-2-yl-3-[2-(2,4-dimethylphenyl)ethyl]urea
SMILESCCC(C)NC(=O)NCCc1ccc(C)cc1C
InChIInChI=1S/C15H24N2O/c1-5-13(4)17-15(18)16-9-8-14-7-6-11(2)10-12(14)3/h6-7,10,13H,5,8-9H2,1-4H3,(H2,16,17,18)
InChIKeyQJYMNJHWAQNEEJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.94
Rot. Bonds5

About 1-butan-2-yl-3-[2-(2,4-dimethylphenyl)ethyl]urea

1-butan-2-yl-3-[2-(2,4-dimethylphenyl)ethyl]urea (PubChem CID 60590409) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-butan-2-yl-3-[2-(2,4-dimethylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-butan-2-yl-3-[2-(2,4-dimethylphenyl)ethyl]urea
PubChem CID60590409
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-butan-2-yl-3-[2-(2,4-dimethylphenyl)ethyl]urea
SMILESCCC(C)NC(=O)NCCc1ccc(C)cc1C
InChIInChI=1S/C15H24N2O/c1-5-13(4)17-15(18)16-9-8-14-7-6-11(2)10-12(14)3/h6-7,10,13H,5,8-9H2,1-4H3,(H2,16,17,18)
InChIKeyQJYMNJHWAQNEEJ-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2,4-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 48718367
1-butan-2-yl-3-[2-(2,4-dimethylphenyl)ethyl]-2-methylguanidine
CID 110946158
1-[2-(2,4-dimethylphenyl)ethyl]-3-propylurea
CID 110775694
N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 95875267
1-(2,4-dimethylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 3766021
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045913
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045908
1-[2-(2,4-dimethylphenyl)ethyl]-3-[(1R)-1-(4-methylsulfonylphenyl)ethyl]urea
CID 52520681
1-[2-(2,4-dimethylphenyl)ethyl]-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea
CID 52520679
1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-phenylethyl)urea
CID 3381220
1-[(2,4-dimethylphenyl)methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110901359
methyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate
CID 110787753

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[2-(2,4-dimethylphenyl)ethyl]urea?
The IUPAC name of 1-butan-2-yl-3-[2-(2,4-dimethylphenyl)ethyl]urea (CID 60590409) is 1-butan-2-yl-3-[2-(2,4-dimethylphenyl)ethyl]urea.
What is the SMILES notation for 1-butan-2-yl-3-[2-(2,4-dimethylphenyl)ethyl]urea?
The canonical SMILES for 1-butan-2-yl-3-[2-(2,4-dimethylphenyl)ethyl]urea is CCC(C)NC(=O)NCCc1ccc(C)cc1C.
What is the InChIKey of 1-butan-2-yl-3-[2-(2,4-dimethylphenyl)ethyl]urea?
The InChIKey is QJYMNJHWAQNEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-13(4)17-15(18)16-9-8-14-7-6-11(2)10-12(14)3/h6-7,10,13H,5,8-9H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-butan-2-yl-3-[2-(2,4-dimethylphenyl)ethyl]urea?
1-butan-2-yl-3-[2-(2,4-dimethylphenyl)ethyl]urea has a molecular weight of 248.37 g/mol, XLogP of 2.94, 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-(2,4-dimethylphenyl)ethyl]urea is sourced from PubChem (CID 60590409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).