1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(4-propan-2-yloxyphenyl)urea

C15H24N2O3 — CID 111754633

IUPAC1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(4-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccc(NC(=O)N(C)CC(C)(C)O)cc1
InChIInChI=1S/C15H24N2O3/c1-11(2)20-13-8-6-12(7-9-13)16-14(18)17(5)10-15(3,4)19/h6-9,11,19H,10H2,1-5H3,(H,16,18)
InChIKeyUNGWQZZMTBQLRF-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.71
Rot. Bonds5

About 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(4-propan-2-yloxyphenyl)urea

1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(4-propan-2-yloxyphenyl)urea (PubChem CID 111754633) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(4-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(4-propan-2-yloxyphenyl)urea
PubChem CID111754633
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(4-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccc(NC(=O)N(C)CC(C)(C)O)cc1
InChIInChI=1S/C15H24N2O3/c1-11(2)20-13-8-6-12(7-9-13)16-14(18)17(5)10-15(3,4)19/h6-9,11,19H,10H2,1-5H3,(H,16,18)
InChIKeyUNGWQZZMTBQLRF-UHFFFAOYSA-N
XLogP2.71
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(4-propan-2-yloxyphenyl)carbamoyl]amino]acetic acid
CID 43318594
1-(2-hydroxypropyl)-1-propan-2-yl-3-(4-propan-2-yloxyphenyl)urea
CID 111754632
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(4-propan-2-yloxyphenyl)urea
CID 86995112
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
2-hydroxy-2-methyl-3-(4-propan-2-yloxyanilino)propanoic acid
CID 104643867
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 111750353
3-[2,6-di(propan-2-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754195
3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 28969935
2-(4-acetamidoanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809144
3-amino-2,2,3-trimethyl-N-(4-propan-2-yloxyphenyl)butanamide
CID 65264385
2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide
CID 76892558
2,2-dimethyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]propanamide
CID 112999062

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(4-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(4-propan-2-yloxyphenyl)urea (CID 111754633) is 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(4-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(4-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(4-propan-2-yloxyphenyl)urea is CC(C)Oc1ccc(NC(=O)N(C)CC(C)(C)O)cc1.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(4-propan-2-yloxyphenyl)urea?
The InChIKey is UNGWQZZMTBQLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(2)20-13-8-6-12(7-9-13)16-14(18)17(5)10-15(3,4)19/h6-9,11,19H,10H2,1-5H3,(H,16,18).
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(4-propan-2-yloxyphenyl)urea?
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(4-propan-2-yloxyphenyl)urea has a molecular weight of 280.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(4-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 111754633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).