1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]urea

C17H18N6O3 — CID 18565917

IUPAC1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]urea
SMILESCOc1ccc(-n2nnnc2CNC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C17H18N6O3/c1-25-14-8-6-13(7-9-14)23-16(20-21-22-23)11-18-17(24)19-12-4-3-5-15(10-12)26-2/h3-10H,11H2,1-2H3,(H2,18,19,24)
InChIKeyXHAGRNMVUMVFSG-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.00
Rot. Bonds6

About 1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]urea

1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]urea (PubChem CID 18565917) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]urea
PubChem CID18565917
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC Name1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]urea
SMILESCOc1ccc(-n2nnnc2CNC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C17H18N6O3/c1-25-14-8-6-13(7-9-14)23-16(20-21-22-23)11-18-17(24)19-12-4-3-5-15(10-12)26-2/h3-10H,11H2,1-2H3,(H2,18,19,24)
InChIKeyXHAGRNMVUMVFSG-UHFFFAOYSA-N
XLogP2.00
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'tetrazole_A(1)', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(3-methoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464728
1-(3,4-dimethylphenyl)-3-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]urea
CID 18565961
1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 18566113
1-(3,4-dimethoxyphenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea
CID 18566017
N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
CID 16799188
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methoxyphenyl)urea
CID 122252739
1-[1-(4-methoxyphenyl)tetrazol-5-yl]propan-2-one
CID 166338434
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-9H-xanthene-9-carboxamide
CID 16799207
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
CID 55697872
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]urea (CID 18565917) is 1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]urea is COc1ccc(-n2nnnc2CNC(=O)Nc2cccc(OC)c2)cc1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]urea?
The InChIKey is XHAGRNMVUMVFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-25-14-8-6-13(7-9-14)23-16(20-21-22-23)11-18-17(24)19-12-4-3-5-15(10-12)26-2/h3-10H,11H2,1-2H3,(H2,18,19,24).
What are the key properties of 1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]urea?
1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]urea has a molecular weight of 354.37 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]urea is sourced from PubChem (CID 18565917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).