1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea

C14H22N2O3 — CID 111453406

IUPAC1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea
SMILESCOc1ccc(NC(=O)NC(C)C(C)CO)c(C)c1
InChIInChI=1S/C14H22N2O3/c1-9-7-12(19-4)5-6-13(9)16-14(18)15-11(3)10(2)8-17/h5-7,10-11,17H,8H2,1-4H3,(H2,15,16,18)
InChIKeyVGSJPEDWLGGSSP-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.14
Rot. Bonds5

About 1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea

1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea (PubChem CID 111453406) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea
PubChem CID111453406
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea
SMILESCOc1ccc(NC(=O)NC(C)C(C)CO)c(C)c1
InChIInChI=1S/C14H22N2O3/c1-9-7-12(19-4)5-6-13(9)16-14(18)15-11(3)10(2)8-17/h5-7,10-11,17H,8H2,1-4H3,(H2,15,16,18)
InChIKeyVGSJPEDWLGGSSP-UHFFFAOYSA-N
XLogP2.14
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
1-(4-chloro-2-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111452596
(2S,3S)-2-[(4-methoxy-2-methylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 62871543
N-(4-methoxy-2-methylphenyl)-2-sulfanylpropanamide
CID 107028771
1-amino-3-(4-methoxy-2-methylphenyl)urea
CID 62872642
1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea
CID 3395267
1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea
CID 110933093
4-methoxy-2-(3-methylpentan-2-ylcarbamoylamino)benzoic acid
CID 115412182
4-(4-methoxy-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498313
1-(2,3-dimethylphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860194
1-(2-ethoxy-4-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111453119
N-[3-[[(2S,3S)-4-hydroxy-3-methylbutan-2-yl]carbamoylamino]-4-methoxyphenyl]acetamide
CID 95775570

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea?
The IUPAC name of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea (CID 111453406) is 1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea.
What is the SMILES notation for 1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea?
The canonical SMILES for 1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea is COc1ccc(NC(=O)NC(C)C(C)CO)c(C)c1.
What is the InChIKey of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea?
The InChIKey is VGSJPEDWLGGSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-7-12(19-4)5-6-13(9)16-14(18)15-11(3)10(2)8-17/h5-7,10-11,17H,8H2,1-4H3,(H2,15,16,18).
What are the key properties of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea?
1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea has a molecular weight of 266.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea is sourced from PubChem (CID 111453406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).