1-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-ylurea

C17H16N2O2 — CID 74228702

IUPAC1-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-ylurea
SMILESCc1ccc(CNC(=O)Nc2ccc3ccccc3c2)o1
InChIInChI=1S/C17H16N2O2/c1-12-6-9-16(21-12)11-18-17(20)19-15-8-7-13-4-2-3-5-14(13)10-15/h2-10H,11H2,1H3,(H2,18,19,20)
InChIKeyZGPNIRALDKLFAY-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.06
Rot. Bonds3

About 1-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-ylurea

1-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-ylurea (PubChem CID 74228702) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-ylurea
PubChem CID74228702
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-ylurea
SMILESCc1ccc(CNC(=O)Nc2ccc3ccccc3c2)o1
InChIInChI=1S/C17H16N2O2/c1-12-6-9-16(21-12)11-18-17(20)19-15-8-7-13-4-2-3-5-14(13)10-15/h2-10H,11H2,1H3,(H2,18,19,20)
InChIKeyZGPNIRALDKLFAY-UHFFFAOYSA-N
XLogP4.06
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 62523742
2-chloro-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 62524083
2-bromo-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 115296876
ethyl 3-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoate
CID 23739414
1-[(5-methylfuran-2-yl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 23855015
1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylfuran-2-yl)methyl]urea
CID 62524269
1-[(5-methylfuran-2-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea
CID 162459049
1-methyl-3-naphthalen-2-ylurea
CID 3454681
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
CID 108894077
1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea
CID 38167516
1-(2-methoxyethoxymethyl)-3-naphthalen-2-ylurea
CID 108894459
1-(3-hydroxybutyl)-3-naphthalen-2-ylurea
CID 111336742

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-ylurea?
The IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-ylurea (CID 74228702) is 1-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-ylurea?
The canonical SMILES for 1-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-ylurea is Cc1ccc(CNC(=O)Nc2ccc3ccccc3c2)o1.
What is the InChIKey of 1-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-ylurea?
The InChIKey is ZGPNIRALDKLFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-6-9-16(21-12)11-18-17(20)19-15-8-7-13-4-2-3-5-14(13)10-15/h2-10H,11H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-ylurea?
1-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-ylurea has a molecular weight of 280.33 g/mol, XLogP of 4.06, 3 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-naphthalen-2-ylurea is sourced from PubChem (CID 74228702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).