1-butyl-1-methyl-3-(2-propan-2-yloxyphenyl)urea

C15H24N2O2 — CID 108990816

IUPAC1-butyl-1-methyl-3-(2-propan-2-yloxyphenyl)urea
SMILESCCCCN(C)C(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C15H24N2O2/c1-5-6-11-17(4)15(18)16-13-9-7-8-10-14(13)19-12(2)3/h7-10,12H,5-6,11H2,1-4H3,(H,16,18)
InChIKeyCEEZDEQHMYKOEI-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.74
Rot. Bonds6

About 1-butyl-1-methyl-3-(2-propan-2-yloxyphenyl)urea

1-butyl-1-methyl-3-(2-propan-2-yloxyphenyl)urea (PubChem CID 108990816) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-butyl-1-methyl-3-(2-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-butyl-1-methyl-3-(2-propan-2-yloxyphenyl)urea
PubChem CID108990816
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-butyl-1-methyl-3-(2-propan-2-yloxyphenyl)urea
SMILESCCCCN(C)C(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C15H24N2O2/c1-5-6-11-17(4)15(18)16-13-9-7-8-10-14(13)19-12(2)3/h7-10,12H,5-6,11H2,1-4H3,(H,16,18)
InChIKeyCEEZDEQHMYKOEI-UHFFFAOYSA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-3-(2-hydroxyphenyl)-1-methylurea
CID 108871514
methyl 2-[[butyl(methyl)carbamoyl]amino]benzoate
CID 3539117
ethyl 2-[[butyl(methyl)carbamoyl]amino]benzoate
CID 108990838
N-[(2-propan-2-yloxyphenyl)carbamothioyl]hexanamide
CID 17151100
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea
CID 109396973
N-butyl-N,6-dimethyl-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109333690
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
N-pentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108951934
1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea
CID 108988227
methyl 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-propan-2-yloxybenzoate
CID 75449805
1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea
CID 23849485
2-(butylsulfonylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 112999026

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-methyl-3-(2-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-butyl-1-methyl-3-(2-propan-2-yloxyphenyl)urea (CID 108990816) is 1-butyl-1-methyl-3-(2-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-butyl-1-methyl-3-(2-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-butyl-1-methyl-3-(2-propan-2-yloxyphenyl)urea is CCCCN(C)C(=O)Nc1ccccc1OC(C)C.
What is the InChIKey of 1-butyl-1-methyl-3-(2-propan-2-yloxyphenyl)urea?
The InChIKey is CEEZDEQHMYKOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-6-11-17(4)15(18)16-13-9-7-8-10-14(13)19-12(2)3/h7-10,12H,5-6,11H2,1-4H3,(H,16,18).
What are the key properties of 1-butyl-1-methyl-3-(2-propan-2-yloxyphenyl)urea?
1-butyl-1-methyl-3-(2-propan-2-yloxyphenyl)urea has a molecular weight of 264.37 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-methyl-3-(2-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 108990816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).