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

C19H24N2O3 — CID 110891041

IUPAC1-(3-benzyl-4-methoxyphenyl)-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)Nc1ccc(OC)c(Cc2ccccc2)c1
InChIInChI=1S/C19H24N2O3/c1-3-16(13-22)20-19(23)21-17-9-10-18(24-2)15(12-17)11-14-7-5-4-6-8-14/h4-10,12,16,22H,3,11,13H2,1-2H3,(H2,20,21,23)
InChIKeyMZBIXVVAOCDQAF-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.18
Rot. Bonds7

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

1-(3-benzyl-4-methoxyphenyl)-3-(1-hydroxybutan-2-yl)urea (PubChem CID 110891041) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(3-benzyl-4-methoxyphenyl)-3-(1-hydroxybutan-2-yl)urea.

Molecular Properties

Compound Name1-(3-benzyl-4-methoxyphenyl)-3-(1-hydroxybutan-2-yl)urea
PubChem CID110891041
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(3-benzyl-4-methoxyphenyl)-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)Nc1ccc(OC)c(Cc2ccccc2)c1
InChIInChI=1S/C19H24N2O3/c1-3-16(13-22)20-19(23)21-17-9-10-18(24-2)15(12-17)11-14-7-5-4-6-8-14/h4-10,12,16,22H,3,11,13H2,1-2H3,(H2,20,21,23)
InChIKeyMZBIXVVAOCDQAF-UHFFFAOYSA-N
XLogP3.18
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-benzyl-4-methoxyphenyl)pentanamide
CID 18128166
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CID 27038651
N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide
CID 27038654
4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide
CID 119274895
N-(3-benzyl-4-methoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 24571190
1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 108894071
N-(3-benzyl-4-methoxyphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 18206628
1-(3-benzyl-4-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 78832230
1-benzyl-3-(3-benzyl-4-methoxyphenyl)thiourea
CID 154799805
N-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide
CID 42372295
2-amino-N-(3-benzyl-4-methoxyphenyl)-4-methylsulfonylbutanamide
CID 119956209
3-amino-N-(3-benzyl-4-methoxyphenyl)pyrazine-2-carboxamide
CID 17443833

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-4-methoxyphenyl)-3-(1-hydroxybutan-2-yl)urea?
The IUPAC name of 1-(3-benzyl-4-methoxyphenyl)-3-(1-hydroxybutan-2-yl)urea (CID 110891041) is 1-(3-benzyl-4-methoxyphenyl)-3-(1-hydroxybutan-2-yl)urea.
What is the SMILES notation for 1-(3-benzyl-4-methoxyphenyl)-3-(1-hydroxybutan-2-yl)urea?
The canonical SMILES for 1-(3-benzyl-4-methoxyphenyl)-3-(1-hydroxybutan-2-yl)urea is CCC(CO)NC(=O)Nc1ccc(OC)c(Cc2ccccc2)c1.
What is the InChIKey of 1-(3-benzyl-4-methoxyphenyl)-3-(1-hydroxybutan-2-yl)urea?
The InChIKey is MZBIXVVAOCDQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-16(13-22)20-19(23)21-17-9-10-18(24-2)15(12-17)11-14-7-5-4-6-8-14/h4-10,12,16,22H,3,11,13H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(3-benzyl-4-methoxyphenyl)-3-(1-hydroxybutan-2-yl)urea?
1-(3-benzyl-4-methoxyphenyl)-3-(1-hydroxybutan-2-yl)urea has a molecular weight of 328.41 g/mol, XLogP of 3.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-4-methoxyphenyl)-3-(1-hydroxybutan-2-yl)urea is sourced from PubChem (CID 110891041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).