1-[3-(1-benzofuran-2-yl)propyl]-3-[(4-methoxyphenyl)methyl]urea

C20H22N2O3 — CID 121020618

IUPAC1-[3-(1-benzofuran-2-yl)propyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCCCc2cc3ccccc3o2)cc1
InChIInChI=1S/C20H22N2O3/c1-24-17-10-8-15(9-11-17)14-22-20(23)21-12-4-6-18-13-16-5-2-3-7-19(16)25-18/h2-3,5,7-11,13H,4,6,12,14H2,1H3,(H2,21,22,23)
InChIKeyAYHAFSSNVYIMIL-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.87
Rot. Bonds7

About 1-[3-(1-benzofuran-2-yl)propyl]-3-[(4-methoxyphenyl)methyl]urea

1-[3-(1-benzofuran-2-yl)propyl]-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 121020618) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[3-(1-benzofuran-2-yl)propyl]-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[3-(1-benzofuran-2-yl)propyl]-3-[(4-methoxyphenyl)methyl]urea
PubChem CID121020618
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-[3-(1-benzofuran-2-yl)propyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCCCc2cc3ccccc3o2)cc1
InChIInChI=1S/C20H22N2O3/c1-24-17-10-8-15(9-11-17)14-22-20(23)21-12-4-6-18-13-16-5-2-3-7-19(16)25-18/h2-3,5,7-11,13H,4,6,12,14H2,1H3,(H2,21,22,23)
InChIKeyAYHAFSSNVYIMIL-UHFFFAOYSA-N
XLogP3.87
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 29276863
(2S)-3-(1-benzofuran-2-yl)-N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 147411654
N'-(1,3-benzodioxol-5-ylmethyl)-N-[3-(1-benzofuran-2-yl)propyl]oxamide
CID 119103420
1-[(4-methoxyphenyl)methyl]-3-propylurea
CID 41355184
methyl 5-[(4-methoxyphenyl)methylcarbamoylamino]pentanoate
CID 60591566
N-[3-(1-benzofuran-2-yl)propyl]-2,6-difluorobenzamide
CID 121020588
1-[2-(1-benzofuran-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 166212107
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea
CID 134040576
1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868142
1-[2-(1-benzofuran-2-yl)ethyl]-3-(3-hydroxybutyl)urea
CID 111444232
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7193774
1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 51290894

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzofuran-2-yl)propyl]-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[3-(1-benzofuran-2-yl)propyl]-3-[(4-methoxyphenyl)methyl]urea (CID 121020618) is 1-[3-(1-benzofuran-2-yl)propyl]-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[3-(1-benzofuran-2-yl)propyl]-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[3-(1-benzofuran-2-yl)propyl]-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)NCCCc2cc3ccccc3o2)cc1.
What is the InChIKey of 1-[3-(1-benzofuran-2-yl)propyl]-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is AYHAFSSNVYIMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-24-17-10-8-15(9-11-17)14-22-20(23)21-12-4-6-18-13-16-5-2-3-7-19(16)25-18/h2-3,5,7-11,13H,4,6,12,14H2,1H3,(H2,21,22,23).
What are the key properties of 1-[3-(1-benzofuran-2-yl)propyl]-3-[(4-methoxyphenyl)methyl]urea?
1-[3-(1-benzofuran-2-yl)propyl]-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 338.41 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzofuran-2-yl)propyl]-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 121020618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).