1-(4-butan-2-ylphenyl)-3-tert-butylurea

C15H24N2O — CID 6471062

IUPAC1-(4-butan-2-ylphenyl)-3-tert-butylurea
SMILESCCC(C)c1ccc(NC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-6-11(2)12-7-9-13(10-8-12)16-14(18)17-15(3,4)5/h7-11H,6H2,1-5H3,(H2,16,17,18)
InChIKeyKIUZMQXMBBEUKB-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.12
Rot. Bonds3

About 1-(4-butan-2-ylphenyl)-3-tert-butylurea

1-(4-butan-2-ylphenyl)-3-tert-butylurea (PubChem CID 6471062) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-3-tert-butylurea.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-3-tert-butylurea
PubChem CID6471062
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(4-butan-2-ylphenyl)-3-tert-butylurea
SMILESCCC(C)c1ccc(NC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-6-11(2)12-7-9-13(10-8-12)16-14(18)17-15(3,4)5/h7-11H,6H2,1-5H3,(H2,16,17,18)
InChIKeyKIUZMQXMBBEUKB-UHFFFAOYSA-N
XLogP4.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butan-2-ylphenyl)-3-tert-butylthiourea
CID 19651891
1-[4-[(2S)-butan-2-yl]phenyl]-3-[2-[3-[2-[[4-[(2R)-butan-2-yl]phenyl]carbamoylamino]propan-2-yl]phenyl]propan-2-yl]urea
CID 27235829
1-tert-butyl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 43508324
1-(4-butan-2-ylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 11736822
1-(4-butan-2-ylphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 11149383
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233
N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide
CID 2384376
1-tert-butyl-3-(4-propylphenyl)urea
CID 113218267
ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate
CID 40507045
1-tert-butyl-3-(4-chlorophenyl)urea
CID 709303
1-(4-butan-2-ylphenyl)-3-(3-chlorophenyl)urea
CID 2930662
1-(4-butan-2-ylphenyl)-3-(2-fluorophenyl)urea
CID 17398492

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-3-tert-butylurea?
The IUPAC name of 1-(4-butan-2-ylphenyl)-3-tert-butylurea (CID 6471062) is 1-(4-butan-2-ylphenyl)-3-tert-butylurea.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-3-tert-butylurea?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-3-tert-butylurea is CCC(C)c1ccc(NC(=O)NC(C)(C)C)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-3-tert-butylurea?
The InChIKey is KIUZMQXMBBEUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-6-11(2)12-7-9-13(10-8-12)16-14(18)17-15(3,4)5/h7-11H,6H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-(4-butan-2-ylphenyl)-3-tert-butylurea?
1-(4-butan-2-ylphenyl)-3-tert-butylurea has a molecular weight of 248.37 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-3-tert-butylurea is sourced from PubChem (CID 6471062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).