1-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-(2-methoxy-1-phenylethyl)urea

C19H22N6O3 — CID 136522782

IUPAC1-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-(2-methoxy-1-phenylethyl)urea
SMILESCOCC(NC(=O)Nc1ccc(OC)c(-n2nnnc2C)c1)c1ccccc1
InChIInChI=1S/C19H22N6O3/c1-13-22-23-24-25(13)17-11-15(9-10-18(17)28-3)20-19(26)21-16(12-27-2)14-7-5-4-6-8-14/h4-11,16H,12H2,1-3H3,(H2,20,21,26)
InChIKeyOLAZJVREZIMPMI-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.49
Rot. Bonds7

About 1-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-(2-methoxy-1-phenylethyl)urea

1-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-(2-methoxy-1-phenylethyl)urea (PubChem CID 136522782) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-(2-methoxy-1-phenylethyl)urea.

Molecular Properties

Compound Name1-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-(2-methoxy-1-phenylethyl)urea
PubChem CID136522782
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name1-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-(2-methoxy-1-phenylethyl)urea
SMILESCOCC(NC(=O)Nc1ccc(OC)c(-n2nnnc2C)c1)c1ccccc1
InChIInChI=1S/C19H22N6O3/c1-13-22-23-24-25(13)17-11-15(9-10-18(17)28-3)20-19(26)21-16(12-27-2)14-7-5-4-6-8-14/h4-11,16H,12H2,1-3H3,(H2,20,21,26)
InChIKeyOLAZJVREZIMPMI-UHFFFAOYSA-N
XLogP2.49
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 119313707
4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122078811
1-[(2R)-butan-2-yl]-3-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-methylurea
CID 95317921
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 52866977
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-pyridin-2-ylpropanamide
CID 134813273
1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 166208770
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyridazine-4-carboxamide
CID 167800736
1-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119766630
1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110895751
4-bromo-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56586278
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 119313715
3-methyl-N-[2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]butanamide
CID 56522069

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-(2-methoxy-1-phenylethyl)urea?
The IUPAC name of 1-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-(2-methoxy-1-phenylethyl)urea (CID 136522782) is 1-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-(2-methoxy-1-phenylethyl)urea.
What is the SMILES notation for 1-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-(2-methoxy-1-phenylethyl)urea?
The canonical SMILES for 1-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-(2-methoxy-1-phenylethyl)urea is COCC(NC(=O)Nc1ccc(OC)c(-n2nnnc2C)c1)c1ccccc1.
What is the InChIKey of 1-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-(2-methoxy-1-phenylethyl)urea?
The InChIKey is OLAZJVREZIMPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-13-22-23-24-25(13)17-11-15(9-10-18(17)28-3)20-19(26)21-16(12-27-2)14-7-5-4-6-8-14/h4-11,16H,12H2,1-3H3,(H2,20,21,26).
What are the key properties of 1-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-(2-methoxy-1-phenylethyl)urea?
1-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-(2-methoxy-1-phenylethyl)urea has a molecular weight of 382.42 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-(2-methoxy-1-phenylethyl)urea is sourced from PubChem (CID 136522782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).