1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-propan-2-ylphenyl)urea

C19H26N2O3 — CID 111472886

IUPAC1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-propan-2-ylphenyl)urea
SMILESCc1cc(C(C)(O)CNC(=O)Nc2ccccc2C(C)C)c(C)o1
InChIInChI=1S/C19H26N2O3/c1-12(2)15-8-6-7-9-17(15)21-18(22)20-11-19(5,23)16-10-13(3)24-14(16)4/h6-10,12,23H,11H2,1-5H3,(H2,20,21,22)
InChIKeyYLZCRMDPKLACJS-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.05
Rot. Bonds5

About 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-propan-2-ylphenyl)urea

1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-propan-2-ylphenyl)urea (PubChem CID 111472886) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-propan-2-ylphenyl)urea
PubChem CID111472886
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-propan-2-ylphenyl)urea
SMILESCc1cc(C(C)(O)CNC(=O)Nc2ccccc2C(C)C)c(C)o1
InChIInChI=1S/C19H26N2O3/c1-12(2)15-8-6-7-9-17(15)21-18(22)20-11-19(5,23)16-10-13(3)24-14(16)4/h6-10,12,23H,11H2,1-5H3,(H2,20,21,22)
InChIKeyYLZCRMDPKLACJS-UHFFFAOYSA-N
XLogP4.05
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide
CID 122132789
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-phenylbutanamide
CID 111478844
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(3-ethynylphenyl)urea
CID 111473538
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-thiophen-2-ylpropyl)urea
CID 111481743
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(4-methylphenyl)methyl]urea
CID 111478668
1-[(5-methylfuran-2-yl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 23855015
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
CID 71985014
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea
CID 111481656
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(methoxymethyl)benzamide
CID 111479126
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-hydroxybenzamide
CID 110025605
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1-methylpiperidin-4-yl)urea
CID 111463952

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-propan-2-ylphenyl)urea?
The IUPAC name of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-propan-2-ylphenyl)urea (CID 111472886) is 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-propan-2-ylphenyl)urea is Cc1cc(C(C)(O)CNC(=O)Nc2ccccc2C(C)C)c(C)o1.
What is the InChIKey of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-propan-2-ylphenyl)urea?
The InChIKey is YLZCRMDPKLACJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-12(2)15-8-6-7-9-17(15)21-18(22)20-11-19(5,23)16-10-13(3)24-14(16)4/h6-10,12,23H,11H2,1-5H3,(H2,20,21,22).
What are the key properties of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-propan-2-ylphenyl)urea?
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-propan-2-ylphenyl)urea has a molecular weight of 330.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 111472886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).