1-[(5-methylfuran-2-yl)methyl]-3-(2-propan-2-ylphenyl)urea

C16H20N2O2 — CID 23855015

IUPAC1-[(5-methylfuran-2-yl)methyl]-3-(2-propan-2-ylphenyl)urea
SMILESCc1ccc(CNC(=O)Nc2ccccc2C(C)C)o1
InChIInChI=1S/C16H20N2O2/c1-11(2)14-6-4-5-7-15(14)18-16(19)17-10-13-9-8-12(3)20-13/h4-9,11H,10H2,1-3H3,(H2,17,18,19)
InChIKeyKNHCAWCPIWGCDN-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.03
Rot. Bonds4

About 1-[(5-methylfuran-2-yl)methyl]-3-(2-propan-2-ylphenyl)urea

1-[(5-methylfuran-2-yl)methyl]-3-(2-propan-2-ylphenyl)urea (PubChem CID 23855015) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[(5-methylfuran-2-yl)methyl]-3-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[(5-methylfuran-2-yl)methyl]-3-(2-propan-2-ylphenyl)urea
PubChem CID23855015
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[(5-methylfuran-2-yl)methyl]-3-(2-propan-2-ylphenyl)urea
SMILESCc1ccc(CNC(=O)Nc2ccccc2C(C)C)o1
InChIInChI=1S/C16H20N2O2/c1-11(2)14-6-4-5-7-15(14)18-16(19)17-10-13-9-8-12(3)20-13/h4-9,11H,10H2,1-3H3,(H2,17,18,19)
InChIKeyKNHCAWCPIWGCDN-UHFFFAOYSA-N
XLogP4.03
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-ylurea
CID 74228702
1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylfuran-2-yl)methyl]urea
CID 62524269
1-[(3-iodophenyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 3868878
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-propan-2-ylphenyl)urea
CID 111472886
3-hydroxy-4-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 62523745
5-iodo-2-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 63111988
3-fluoro-4-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 63187949
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 3613341
1-[(1-phenylcyclobutyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 113214970
3-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 62523742
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425
3-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide
CID 62879092

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-3-(2-propan-2-ylphenyl)urea?
The IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-3-(2-propan-2-ylphenyl)urea (CID 23855015) is 1-[(5-methylfuran-2-yl)methyl]-3-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[(5-methylfuran-2-yl)methyl]-3-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[(5-methylfuran-2-yl)methyl]-3-(2-propan-2-ylphenyl)urea is Cc1ccc(CNC(=O)Nc2ccccc2C(C)C)o1.
What is the InChIKey of 1-[(5-methylfuran-2-yl)methyl]-3-(2-propan-2-ylphenyl)urea?
The InChIKey is KNHCAWCPIWGCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(2)14-6-4-5-7-15(14)18-16(19)17-10-13-9-8-12(3)20-13/h4-9,11H,10H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-[(5-methylfuran-2-yl)methyl]-3-(2-propan-2-ylphenyl)urea?
1-[(5-methylfuran-2-yl)methyl]-3-(2-propan-2-ylphenyl)urea has a molecular weight of 272.35 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylfuran-2-yl)methyl]-3-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 23855015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).