1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenoxy)propyl]urea

C15H24N2O3 — CID 108881485

IUPAC1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenoxy)propyl]urea
SMILESCc1ccc(OCCCNC(=O)NC(C)(C)CO)cc1
InChIInChI=1S/C15H24N2O3/c1-12-5-7-13(8-6-12)20-10-4-9-16-14(19)17-15(2,3)11-18/h5-8,18H,4,9-11H2,1-3H3,(H2,16,17,19)
InChIKeyUJYMSVCSXFCKNX-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.83
Rot. Bonds7

About 1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenoxy)propyl]urea

1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenoxy)propyl]urea (PubChem CID 108881485) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenoxy)propyl]urea
PubChem CID108881485
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenoxy)propyl]urea
SMILESCc1ccc(OCCCNC(=O)NC(C)(C)CO)cc1
InChIInChI=1S/C15H24N2O3/c1-12-5-7-13(8-6-12)20-10-4-9-16-14(19)17-15(2,3)11-18/h5-8,18H,4,9-11H2,1-3H3,(H2,16,17,19)
InChIKeyUJYMSVCSXFCKNX-UHFFFAOYSA-N
XLogP1.83
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-methylphenoxy)propyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108881373
1,3-bis[4-(4-methylphenoxy)butyl]urea
CID 47093546
2-methyl-2-[2-(4-methylphenoxy)ethylamino]propan-1-ol;hydrochloride
CID 66938068
N-[3-(4-methylphenoxy)propyl]acetamide
CID 58966904
2-[3-(4-methylphenoxy)propylcarbamoylamino]propanoic acid
CID 108881262
1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874734
1-[3-(dimethylamino)propyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970015
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108531227
1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea
CID 47103272
1-[(4-methylphenoxy)methyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108892984
N-(2,2-difluoro-3-hydroxypropyl)-4-(4-methylphenoxy)butanamide
CID 104857867
tert-butyl N-[2-(4-methylphenoxy)ethyl]carbamate;ethane
CID 153377794

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenoxy)propyl]urea?
The IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenoxy)propyl]urea (CID 108881485) is 1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenoxy)propyl]urea?
The canonical SMILES for 1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenoxy)propyl]urea is Cc1ccc(OCCCNC(=O)NC(C)(C)CO)cc1.
What is the InChIKey of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenoxy)propyl]urea?
The InChIKey is UJYMSVCSXFCKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-12-5-7-13(8-6-12)20-10-4-9-16-14(19)17-15(2,3)11-18/h5-8,18H,4,9-11H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenoxy)propyl]urea?
1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenoxy)propyl]urea has a molecular weight of 280.37 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenoxy)propyl]urea is sourced from PubChem (CID 108881485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).