1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea

C19H21N3O3 — CID 134006399

IUPAC1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea
SMILESCCOc1ncccc1CNC(=O)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C19H21N3O3/c1-3-24-18-15(8-6-10-20-18)12-21-19(23)22-13(2)17-11-14-7-4-5-9-16(14)25-17/h4-11,13H,3,12H2,1-2H3,(H2,21,22,23)
InChIKeyMJIOBXJEZZAQCQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.79
Rot. Bonds6

About 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea

1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea (PubChem CID 134006399) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea
PubChem CID134006399
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea
SMILESCCOc1ncccc1CNC(=O)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C19H21N3O3/c1-3-24-18-15(8-6-10-20-18)12-21-19(23)22-13(2)17-11-14-7-4-5-9-16(14)25-17/h4-11,13H,3,12H2,1-2H3,(H2,21,22,23)
InChIKeyMJIOBXJEZZAQCQ-UHFFFAOYSA-N
XLogP3.79
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-bromophenyl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 134006420
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea
CID 47160556
1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea
CID 111337854
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea
CID 51082870
1-[(2-methoxy-3-pyridinyl)methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea
CID 94028469
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)propyl]urea
CID 42891466
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 42934544
1-(1-benzofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82733301
N-[(2-methoxy-3-pyridinyl)methyl]-2-oxochromene-3-carboxamide
CID 37486429
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103936
1-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 119035185
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 51082871

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea (CID 134006399) is 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea is CCOc1ncccc1CNC(=O)NC(C)c1cc2ccccc2o1.
What is the InChIKey of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea?
The InChIKey is MJIOBXJEZZAQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-3-24-18-15(8-6-10-20-18)12-21-19(23)22-13(2)17-11-14-7-4-5-9-16(14)25-17/h4-11,13H,3,12H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea?
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea has a molecular weight of 339.40 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea is sourced from PubChem (CID 134006399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).