1-methoxy-1-methyl-3-[3-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]urea

C20H24N2O4 — CID 14499859

IUPAC1-methoxy-1-methyl-3-[3-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]urea
SMILESCON(C)C(=O)Nc1cccc(OCCc2ccc3c(c2)CC(C)O3)c1
InChIInChI=1S/C20H24N2O4/c1-14-11-16-12-15(7-8-19(16)26-14)9-10-25-18-6-4-5-17(13-18)21-20(23)22(2)24-3/h4-8,12-14H,9-11H2,1-3H3,(H,21,23)
InChIKeyLTCOHONFKCJXFT-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.66
Rot. Bonds6

About 1-methoxy-1-methyl-3-[3-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]urea

1-methoxy-1-methyl-3-[3-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]urea (PubChem CID 14499859) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-methoxy-1-methyl-3-[3-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]urea.

Molecular Properties

Compound Name1-methoxy-1-methyl-3-[3-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]urea
PubChem CID14499859
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name1-methoxy-1-methyl-3-[3-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]urea
SMILESCON(C)C(=O)Nc1cccc(OCCc2ccc3c(c2)CC(C)O3)c1
InChIInChI=1S/C20H24N2O4/c1-14-11-16-12-15(7-8-19(16)26-14)9-10-25-18-6-4-5-17(13-18)21-20(23)22(2)24-3/h4-8,12-14H,9-11H2,1-3H3,(H,21,23)
InChIKeyLTCOHONFKCJXFT-UHFFFAOYSA-N
XLogP3.66
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-methyl-3-[3-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]urea?
The IUPAC name of 1-methoxy-1-methyl-3-[3-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]urea (CID 14499859) is 1-methoxy-1-methyl-3-[3-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]urea.
What is the SMILES notation for 1-methoxy-1-methyl-3-[3-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]urea?
The canonical SMILES for 1-methoxy-1-methyl-3-[3-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]urea is CON(C)C(=O)Nc1cccc(OCCc2ccc3c(c2)CC(C)O3)c1.
What is the InChIKey of 1-methoxy-1-methyl-3-[3-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]urea?
The InChIKey is LTCOHONFKCJXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14-11-16-12-15(7-8-19(16)26-14)9-10-25-18-6-4-5-17(13-18)21-20(23)22(2)24-3/h4-8,12-14H,9-11H2,1-3H3,(H,21,23).
What are the key properties of 1-methoxy-1-methyl-3-[3-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]urea?
1-methoxy-1-methyl-3-[3-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]urea has a molecular weight of 356.42 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-methyl-3-[3-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]urea is sourced from PubChem (CID 14499859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).