1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea

C20H24N2O2 — CID 86793796

IUPAC1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea
SMILESO=C(NCc1ccc2ccccc2c1)NC1CCOC(C2CC2)C1
InChIInChI=1S/C20H24N2O2/c23-20(22-18-9-10-24-19(12-18)16-7-8-16)21-13-14-5-6-15-3-1-2-4-17(15)11-14/h1-6,11,16,18-19H,7-10,12-13H2,(H2,21,22,23)
InChIKeyGFJRXPMQEDMCDV-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.60
Rot. Bonds4

About 1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea

1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea (PubChem CID 86793796) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea
PubChem CID86793796
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea
SMILESO=C(NCc1ccc2ccccc2c1)NC1CCOC(C2CC2)C1
InChIInChI=1S/C20H24N2O2/c23-20(22-18-9-10-24-19(12-18)16-7-8-16)21-13-14-5-6-15-3-1-2-4-17(15)11-14/h1-6,11,16,18-19H,7-10,12-13H2,(H2,21,22,23)
InChIKeyGFJRXPMQEDMCDV-UHFFFAOYSA-N
XLogP3.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopropyloxan-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]urea
CID 86793317
1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 99625310
N-[2-[[(2R,4S)-2-cyclopropyloxan-4-yl]carbamoylamino]ethyl]-2-fluorobenzamide
CID 124571830
1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 99616040
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 99616041
2-naphthalen-2-yl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91792975
2-naphthalen-2-yl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133268711
4-[[(2-phenyloxan-4-yl)carbamoylamino]methyl]benzoic acid
CID 122010133
1-(2-cyclopropyloxan-4-yl)-3-[2-(3-methylphenyl)propyl]urea
CID 91660622
1-(naphthalen-2-ylmethyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 95762758
1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(2R)-2-(4-methylphenoxy)propyl]urea
CID 129374206
1-(2-bromoprop-2-enyl)-3-[(2R,4S)-2-cyclopropyloxan-4-yl]urea
CID 99578632

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea?
The IUPAC name of 1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea (CID 86793796) is 1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea?
The canonical SMILES for 1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea is O=C(NCc1ccc2ccccc2c1)NC1CCOC(C2CC2)C1.
What is the InChIKey of 1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea?
The InChIKey is GFJRXPMQEDMCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-20(22-18-9-10-24-19(12-18)16-7-8-16)21-13-14-5-6-15-3-1-2-4-17(15)11-14/h1-6,11,16,18-19H,7-10,12-13H2,(H2,21,22,23).
What are the key properties of 1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea?
1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea has a molecular weight of 324.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea is sourced from PubChem (CID 86793796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).