1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(naphthalen-1-ylmethyl)urea

C22H22N6O2 — CID 18565970

IUPAC1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(naphthalen-1-ylmethyl)urea
SMILESCCOc1ccc(-n2nnnc2CNC(=O)NCc2cccc3ccccc23)cc1
InChIInChI=1S/C22H22N6O2/c1-2-30-19-12-10-18(11-13-19)28-21(25-26-27-28)15-24-22(29)23-14-17-8-5-7-16-6-3-4-9-20(16)17/h3-13H,2,14-15H2,1H3,(H2,23,24,29)
InChIKeyQDWWZCKIFJVPDM-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.21
Rot. Bonds7

About 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(naphthalen-1-ylmethyl)urea

1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(naphthalen-1-ylmethyl)urea (PubChem CID 18565970) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(naphthalen-1-ylmethyl)urea.

Molecular Properties

Compound Name1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(naphthalen-1-ylmethyl)urea
PubChem CID18565970
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(naphthalen-1-ylmethyl)urea
SMILESCCOc1ccc(-n2nnnc2CNC(=O)NCc2cccc3ccccc23)cc1
InChIInChI=1S/C22H22N6O2/c1-2-30-19-12-10-18(11-13-19)28-21(25-26-27-28)15-24-22(29)23-14-17-8-5-7-16-6-3-4-9-20(16)17/h3-13H,2,14-15H2,1H3,(H2,23,24,29)
InChIKeyQDWWZCKIFJVPDM-UHFFFAOYSA-N
XLogP3.21
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(naphthalen-1-ylmethyl)urea?
The IUPAC name of 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(naphthalen-1-ylmethyl)urea (CID 18565970) is 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(naphthalen-1-ylmethyl)urea.
What is the SMILES notation for 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(naphthalen-1-ylmethyl)urea?
The canonical SMILES for 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(naphthalen-1-ylmethyl)urea is CCOc1ccc(-n2nnnc2CNC(=O)NCc2cccc3ccccc23)cc1.
What is the InChIKey of 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(naphthalen-1-ylmethyl)urea?
The InChIKey is QDWWZCKIFJVPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-2-30-19-12-10-18(11-13-19)28-21(25-26-27-28)15-24-22(29)23-14-17-8-5-7-16-6-3-4-9-20(16)17/h3-13H,2,14-15H2,1H3,(H2,23,24,29).
What are the key properties of 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(naphthalen-1-ylmethyl)urea?
1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(naphthalen-1-ylmethyl)urea has a molecular weight of 402.46 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(naphthalen-1-ylmethyl)urea is sourced from PubChem (CID 18565970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).