1-(1-methoxypropan-2-yl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea

C15H24N2O3 — CID 71991952

IUPAC1-(1-methoxypropan-2-yl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea
SMILESCOCC(C)NC(=O)Nc1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C15H24N2O3/c1-10(2)20-14-7-6-13(8-11(14)3)17-15(18)16-12(4)9-19-5/h6-8,10,12H,9H2,1-5H3,(H2,16,17,18)
InChIKeyUTDUTBAKLIXWGO-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.94
Rot. Bonds6

About 1-(1-methoxypropan-2-yl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea

1-(1-methoxypropan-2-yl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea (PubChem CID 71991952) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea
PubChem CID71991952
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(1-methoxypropan-2-yl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea
SMILESCOCC(C)NC(=O)Nc1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C15H24N2O3/c1-10(2)20-14-7-6-13(8-11(14)3)17-15(18)16-12(4)9-19-5/h6-8,10,12H,9H2,1-5H3,(H2,16,17,18)
InChIKeyUTDUTBAKLIXWGO-UHFFFAOYSA-N
XLogP2.94
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
CID 110774552
1-(4-methoxy-3-methylphenyl)-3-(5-methylhexan-2-yl)urea
CID 60546005
2-amino-N-(3-methyl-4-propan-2-yloxyphenyl)acetamide
CID 82494452
4-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 122085552
1-(3-chlorophenyl)-3-(1-methoxypropan-2-yl)urea
CID 24528797
2-hydroxy-2-methyl-3-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
CID 122085546
1-(3-chloro-4-cyclopentyloxyphenyl)-3-(1-methoxypropan-2-yl)urea
CID 60577123
1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
CID 47417327
4-[[(2S)-1-methoxypropan-2-yl]carbamoylamino]-N-methylbenzamide
CID 94811602
1-[(2S)-1-methoxypropan-2-yl]-3-(4-methylsulfonylphenyl)urea
CID 94820739
1-[(2S)-1-methoxypropan-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 95121864
1-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 96518172

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-(1-methoxypropan-2-yl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea (CID 71991952) is 1-(1-methoxypropan-2-yl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea is COCC(C)NC(=O)Nc1ccc(OC(C)C)c(C)c1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea?
The InChIKey is UTDUTBAKLIXWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(2)20-14-7-6-13(8-11(14)3)17-15(18)16-12(4)9-19-5/h6-8,10,12H,9H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-(1-methoxypropan-2-yl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea?
1-(1-methoxypropan-2-yl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea has a molecular weight of 280.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 71991952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).