1-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea

C25H31N3O4 — CID 3245445

IUPAC1-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea
SMILESCOc1cccc2cc(C(C)N(CCCN3CCOCC3)C(=O)Nc3ccccc3)oc12
InChIInChI=1S/C25H31N3O4/c1-19(23-18-20-8-6-11-22(30-2)24(20)32-23)28(13-7-12-27-14-16-31-17-15-27)25(29)26-21-9-4-3-5-10-21/h3-6,8-11,18-19H,7,12-17H2,1-2H3,(H,26,29)
InChIKeyZPINVZYIFKJWAW-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.76
Rot. Bonds8

About 1-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea

1-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea (PubChem CID 3245445) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea.

Molecular Properties

Compound Name1-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea
PubChem CID3245445
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name1-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea
SMILESCOc1cccc2cc(C(C)N(CCCN3CCOCC3)C(=O)Nc3ccccc3)oc12
InChIInChI=1S/C25H31N3O4/c1-19(23-18-20-8-6-11-22(30-2)24(20)32-23)28(13-7-12-27-14-16-31-17-15-27)25(29)26-21-9-4-3-5-10-21/h3-6,8-11,18-19H,7,12-17H2,1-2H3,(H,26,29)
InChIKeyZPINVZYIFKJWAW-UHFFFAOYSA-N
XLogP4.76
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea?
The IUPAC name of 1-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea (CID 3245445) is 1-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea.
What is the SMILES notation for 1-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea?
The canonical SMILES for 1-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea is COc1cccc2cc(C(C)N(CCCN3CCOCC3)C(=O)Nc3ccccc3)oc12.
What is the InChIKey of 1-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea?
The InChIKey is ZPINVZYIFKJWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-19(23-18-20-8-6-11-22(30-2)24(20)32-23)28(13-7-12-27-14-16-31-17-15-27)25(29)26-21-9-4-3-5-10-21/h3-6,8-11,18-19H,7,12-17H2,1-2H3,(H,26,29).
What are the key properties of 1-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea?
1-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea has a molecular weight of 437.54 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea is sourced from PubChem (CID 3245445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).