1-[1-(1-benzofuran-2-yl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea

C20H24N2O4 — CID 87002732

IUPAC1-[1-(1-benzofuran-2-yl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)NCCCOCc1ccco1
InChIInChI=1S/C20H24N2O4/c1-15(19-13-16-7-3-4-9-18(16)26-19)22(2)20(23)21-10-6-11-24-14-17-8-5-12-25-17/h3-5,7-9,12-13,15H,6,10-11,14H2,1-2H3,(H,21,23)
InChIKeyHMMVAHCNZUKNCM-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.34
Rot. Bonds8

About 1-[1-(1-benzofuran-2-yl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea

1-[1-(1-benzofuran-2-yl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea (PubChem CID 87002732) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-[1-(1-benzofuran-2-yl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea.

Molecular Properties

Compound Name1-[1-(1-benzofuran-2-yl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea
PubChem CID87002732
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name1-[1-(1-benzofuran-2-yl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)NCCCOCc1ccco1
InChIInChI=1S/C20H24N2O4/c1-15(19-13-16-7-3-4-9-18(16)26-19)22(2)20(23)21-10-6-11-24-14-17-8-5-12-25-17/h3-5,7-9,12-13,15H,6,10-11,14H2,1-2H3,(H,21,23)
InChIKeyHMMVAHCNZUKNCM-UHFFFAOYSA-N
XLogP4.34
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2,5-difluorophenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea
CID 87038251
1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 55930468
1-[2-(1-benzofuran-2-yl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111776516
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 51934936
N-[3-(furan-2-ylmethoxy)propyl]-2-(N-methylanilino)acetamide
CID 86914416
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea
CID 134040576
4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496827
1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea
CID 94174512
2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
CID 60706210
N-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide
CID 78835063
1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-methoxyethoxy)phenyl]-1-methylurea
CID 47493616
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea
CID 75431227

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea?
The IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea (CID 87002732) is 1-[1-(1-benzofuran-2-yl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea.
What is the SMILES notation for 1-[1-(1-benzofuran-2-yl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea?
The canonical SMILES for 1-[1-(1-benzofuran-2-yl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea is CC(c1cc2ccccc2o1)N(C)C(=O)NCCCOCc1ccco1.
What is the InChIKey of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea?
The InChIKey is HMMVAHCNZUKNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-15(19-13-16-7-3-4-9-18(16)26-19)22(2)20(23)21-10-6-11-24-14-17-8-5-12-25-17/h3-5,7-9,12-13,15H,6,10-11,14H2,1-2H3,(H,21,23).
What are the key properties of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea?
1-[1-(1-benzofuran-2-yl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea has a molecular weight of 356.42 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 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-[3-(furan-2-ylmethoxy)propyl]-1-methylurea is sourced from PubChem (CID 87002732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).