1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea

C12H18N2O3 — CID 78998444

IUPAC1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC(C)CCO
InChIInChI=1S/C12H18N2O3/c1-9(7-8-15)13-12(16)14-10-5-3-4-6-11(10)17-2/h3-6,9,15H,7-8H2,1-2H3,(H2,13,14,16)
InChIKeyWZRIQEHNFOEVCY-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.59
Rot. Bonds5

About 1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea

1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea (PubChem CID 78998444) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea
PubChem CID78998444
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC(C)CCO
InChIInChI=1S/C12H18N2O3/c1-9(7-8-15)13-12(16)14-10-5-3-4-6-11(10)17-2/h3-6,9,15H,7-8H2,1-2H3,(H2,13,14,16)
InChIKeyWZRIQEHNFOEVCY-UHFFFAOYSA-N
XLogP1.59
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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-(1-hydroxypropan-2-yl)-3-(2-methoxyphenyl)urea
CID 43417318
1-butan-2-yl-3-(2-methoxyphenyl)urea
CID 19167871
1-(2-methoxyphenyl)-3-pent-4-yn-2-ylurea
CID 115662879
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
1-(1-cyanoethyl)-3-(2-methoxyphenyl)urea
CID 60969499
2-[(2-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469980
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methoxyphenyl)acetamide
CID 104892113
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
1-(2-amino-1-phenylethyl)-3-(2-methoxyphenyl)urea
CID 63767864
1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812234
1-(2-methoxyphenyl)-3-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 97158674

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea (CID 78998444) is 1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NC(C)CCO.
What is the InChIKey of 1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea?
The InChIKey is WZRIQEHNFOEVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(7-8-15)13-12(16)14-10-5-3-4-6-11(10)17-2/h3-6,9,15H,7-8H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea?
1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea has a molecular weight of 238.29 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 78998444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).