1-(3,4-dimethylphenyl)-3-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]urea

C19H22N6O2 — CID 18565961

IUPAC1-(3,4-dimethylphenyl)-3-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]urea
SMILESCCOc1ccc(-n2nnnc2CNC(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H22N6O2/c1-4-27-17-9-7-16(8-10-17)25-18(22-23-24-25)12-20-19(26)21-15-6-5-13(2)14(3)11-15/h5-11H,4,12H2,1-3H3,(H2,20,21,26)
InChIKeySLMOLPCDEQUVGA-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.00
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-3-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]urea

1-(3,4-dimethylphenyl)-3-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]urea (PubChem CID 18565961) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]urea
PubChem CID18565961
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name1-(3,4-dimethylphenyl)-3-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]urea
SMILESCCOc1ccc(-n2nnnc2CNC(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H22N6O2/c1-4-27-17-9-7-16(8-10-17)25-18(22-23-24-25)12-20-19(26)21-15-6-5-13(2)14(3)11-15/h5-11H,4,12H2,1-3H3,(H2,20,21,26)
InChIKeySLMOLPCDEQUVGA-UHFFFAOYSA-N
XLogP3.00
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3,4-dimethylphenyl)-3-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]urea with MolForge

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Related Compounds

1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]urea
CID 18565917
3-bromo-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide
CID 18565556
N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 55109238
3-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide
CID 18565554
1-(3,4-dimethoxyphenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea
CID 18566017
(3S)-1-(4-ethoxyphenyl)-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 41128963
N-[5-[[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-2-methylphenyl]propanamide
CID 1172288
(2S)-N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9462204
4-(1,3-dioxoisoindol-2-yl)-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]butanamide
CID 18565603
1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884279
[1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 119106406
N-(3,4-dimethylphenyl)-N'-[(1R)-1-(4-ethoxyphenyl)ethyl]oxamide
CID 94536642

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]urea (CID 18565961) is 1-(3,4-dimethylphenyl)-3-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]urea is CCOc1ccc(-n2nnnc2CNC(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]urea?
The InChIKey is SLMOLPCDEQUVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-4-27-17-9-7-16(8-10-17)25-18(22-23-24-25)12-20-19(26)21-15-6-5-13(2)14(3)11-15/h5-11H,4,12H2,1-3H3,(H2,20,21,26).
What are the key properties of 1-(3,4-dimethylphenyl)-3-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]urea?
1-(3,4-dimethylphenyl)-3-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]urea has a molecular weight of 366.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]urea is sourced from PubChem (CID 18565961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).