1-(1-hydroxy-2-methylpropan-2-yl)-3-[2-(2-methylpropoxy)phenyl]urea

C15H24N2O3 — CID 110901135

IUPAC1-(1-hydroxy-2-methylpropan-2-yl)-3-[2-(2-methylpropoxy)phenyl]urea
SMILESCC(C)COc1ccccc1NC(=O)NC(C)(C)CO
InChIInChI=1S/C15H24N2O3/c1-11(2)9-20-13-8-6-5-7-12(13)16-14(19)17-15(3,4)10-18/h5-8,11,18H,9-10H2,1-4H3,(H2,16,17,19)
InChIKeyYJAFINNZOLYXQV-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.61
Rot. Bonds6

About 1-(1-hydroxy-2-methylpropan-2-yl)-3-[2-(2-methylpropoxy)phenyl]urea

1-(1-hydroxy-2-methylpropan-2-yl)-3-[2-(2-methylpropoxy)phenyl]urea (PubChem CID 110901135) 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-[2-(2-methylpropoxy)phenyl]urea.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpropan-2-yl)-3-[2-(2-methylpropoxy)phenyl]urea
PubChem CID110901135
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(1-hydroxy-2-methylpropan-2-yl)-3-[2-(2-methylpropoxy)phenyl]urea
SMILESCC(C)COc1ccccc1NC(=O)NC(C)(C)CO
InChIInChI=1S/C15H24N2O3/c1-11(2)9-20-13-8-6-5-7-12(13)16-14(19)17-15(3,4)10-18/h5-8,11,18H,9-10H2,1-4H3,(H2,16,17,19)
InChIKeyYJAFINNZOLYXQV-UHFFFAOYSA-N
XLogP2.61
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-sulfanylphenyl)urea
CID 108886544
1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea
CID 47264632
1-(4-hydroxy-2,2-dimethylpentyl)-3-[2-(2-methylpropoxy)phenyl]urea
CID 111473925
N,N'-bis[2-(2-methylpropoxy)phenyl]hexanediamide
CID 17074524
2-amino-2-cyclopropyl-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 60928638
4-hydroxy-N-[2-(2-methylpropoxy)phenyl]butanamide
CID 79203312
2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide
CID 55125784
(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide
CID 61174256
N,N'-bis[2-(2-methylpropoxy)phenyl]nonanediamide
CID 17074526
2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 103733060
2-(2-methoxyanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54817214

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[2-(2-methylpropoxy)phenyl]urea?
The IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[2-(2-methylpropoxy)phenyl]urea (CID 110901135) is 1-(1-hydroxy-2-methylpropan-2-yl)-3-[2-(2-methylpropoxy)phenyl]urea.
What is the SMILES notation for 1-(1-hydroxy-2-methylpropan-2-yl)-3-[2-(2-methylpropoxy)phenyl]urea?
The canonical SMILES for 1-(1-hydroxy-2-methylpropan-2-yl)-3-[2-(2-methylpropoxy)phenyl]urea is CC(C)COc1ccccc1NC(=O)NC(C)(C)CO.
What is the InChIKey of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[2-(2-methylpropoxy)phenyl]urea?
The InChIKey is YJAFINNZOLYXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(2)9-20-13-8-6-5-7-12(13)16-14(19)17-15(3,4)10-18/h5-8,11,18H,9-10H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[2-(2-methylpropoxy)phenyl]urea?
1-(1-hydroxy-2-methylpropan-2-yl)-3-[2-(2-methylpropoxy)phenyl]urea has a molecular weight of 280.37 g/mol, XLogP of 2.61, 6 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-[2-(2-methylpropoxy)phenyl]urea is sourced from PubChem (CID 110901135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).