1-(2-methoxyethyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea

C19H26N4O2 — CID 126429082

IUPAC1-(2-methoxyethyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea
SMILESCOCCN(C/C=C/c1ccccc1)C(=O)N[C@H](C)c1cnn(C)c1
InChIInChI=1S/C19H26N4O2/c1-16(18-14-20-22(2)15-18)21-19(24)23(12-13-25-3)11-7-10-17-8-5-4-6-9-17/h4-10,14-16H,11-13H2,1-3H3,(H,21,24)/b10-7+/t16-/m1/s1
InChIKeyDLDZHMMAHKXYTM-OJXHRBAXSA-N
MW342.44 g/mol
LogP2.85
Rot. Bonds8

About 1-(2-methoxyethyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea

1-(2-methoxyethyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea (PubChem CID 126429082) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea
PubChem CID126429082
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-(2-methoxyethyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea
SMILESCOCCN(C/C=C/c1ccccc1)C(=O)N[C@H](C)c1cnn(C)c1
InChIInChI=1S/C19H26N4O2/c1-16(18-14-20-22(2)15-18)21-19(24)23(12-13-25-3)11-7-10-17-8-5-4-6-9-17/h4-10,14-16H,11-13H2,1-3H3,(H,21,24)/b10-7+/t16-/m1/s1
InChIKeyDLDZHMMAHKXYTM-OJXHRBAXSA-N
XLogP2.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea (CID 126429082) is 1-(2-methoxyethyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea is COCCN(C/C=C/c1ccccc1)C(=O)N[C@H](C)c1cnn(C)c1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea?
The InChIKey is DLDZHMMAHKXYTM-OJXHRBAXSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-16(18-14-20-22(2)15-18)21-19(24)23(12-13-25-3)11-7-10-17-8-5-4-6-9-17/h4-10,14-16H,11-13H2,1-3H3,(H,21,24)/b10-7+/t16-/m1/s1.
What are the key properties of 1-(2-methoxyethyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea?
1-(2-methoxyethyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea has a molecular weight of 342.44 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea is sourced from PubChem (CID 126429082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).