1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea

C12H18N2O3 — CID 43392833

IUPAC1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC(C)(C)CO)cc1
InChIInChI=1S/C12H18N2O3/c1-12(2,8-15)14-11(16)13-9-4-6-10(17-3)7-5-9/h4-7,15H,8H2,1-3H3,(H2,13,14,16)
InChIKeyAVJWDEQDKOJKRU-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.59
Rot. Bonds4

About 1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea

1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea (PubChem CID 43392833) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea
PubChem CID43392833
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC(C)(C)CO)cc1
InChIInChI=1S/C12H18N2O3/c1-12(2,8-15)14-11(16)13-9-4-6-10(17-3)7-5-9/h4-7,15H,8H2,1-3H3,(H2,13,14,16)
InChIKeyAVJWDEQDKOJKRU-UHFFFAOYSA-N
XLogP1.59
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-(4-methoxyphenyl)urea
CID 6457975
4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043312
1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea
CID 108867208
1-(4-cyclopentyloxyphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 110894513
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(1-hydroxy-2-methylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 60781787
N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110466111
N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 43390489
1-(3-ethylpent-1-yn-3-yl)-3-(4-methoxyphenyl)urea
CID 971215
1-(3,3-dimethylbutyl)-3-(4-methoxyphenyl)urea
CID 21361439
(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 66750831
2,2-difluoro-3-hydroxy-N-(4-methoxyphenyl)propanamide
CID 139665561

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea (CID 43392833) is 1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NC(C)(C)CO)cc1.
What is the InChIKey of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea?
The InChIKey is AVJWDEQDKOJKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(2,8-15)14-11(16)13-9-4-6-10(17-3)7-5-9/h4-7,15H,8H2,1-3H3,(H2,13,14,16).
What are the key properties of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea?
1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea has a molecular weight of 238.29 g/mol, XLogP of 1.59, 4 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-(4-methoxyphenyl)urea is sourced from PubChem (CID 43392833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).