1-cyclobutyl-3-[2-(5-propyl-1-benzofuran-3-yl)ethyl]urea

C18H24N2O2 — CID 21460951

IUPAC1-cyclobutyl-3-[2-(5-propyl-1-benzofuran-3-yl)ethyl]urea
SMILESCCCc1ccc2occ(CCNC(=O)NC3CCC3)c2c1
InChIInChI=1S/C18H24N2O2/c1-2-4-13-7-8-17-16(11-13)14(12-22-17)9-10-19-18(21)20-15-5-3-6-15/h7-8,11-12,15H,2-6,9-10H2,1H3,(H2,19,20,21)
InChIKeyISCDZLLYGZGZOE-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.78
Rot. Bonds6

About 1-cyclobutyl-3-[2-(5-propyl-1-benzofuran-3-yl)ethyl]urea

1-cyclobutyl-3-[2-(5-propyl-1-benzofuran-3-yl)ethyl]urea (PubChem CID 21460951) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-cyclobutyl-3-[2-(5-propyl-1-benzofuran-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclobutyl-3-[2-(5-propyl-1-benzofuran-3-yl)ethyl]urea
PubChem CID21460951
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-cyclobutyl-3-[2-(5-propyl-1-benzofuran-3-yl)ethyl]urea
SMILESCCCc1ccc2occ(CCNC(=O)NC3CCC3)c2c1
InChIInChI=1S/C18H24N2O2/c1-2-4-13-7-8-17-16(11-13)14(12-22-17)9-10-19-18(21)20-15-5-3-6-15/h7-8,11-12,15H,2-6,9-10H2,1H3,(H2,19,20,21)
InChIKeyISCDZLLYGZGZOE-UHFFFAOYSA-N
XLogP3.78
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[2-(5-propyl-1-benzofuran-3-yl)ethyl]thiourea
CID 139699439
N-ethyl-2-(5-propyl-1-benzofuran-3-yl)ethanamine
CID 81048090
N-[2-(5-butyl-1-benzofuran-3-yl)ethyl]pentanamide
CID 21460962
2-(5-propyl-1-benzofuran-3-yl)ethanamine
CID 81048863
N-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]cyclopropanecarboxamide
CID 18007934
N-[2-(5-cyclopropyl-1-benzofuran-3-yl)ethyl]propanamide
CID 21460979
1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108887610
1-cyclobutyl-1-[2-(5-ethyl-1-benzofuran-3-yl)ethyl]urea
CID 174318981
1-cyclopentyl-3-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]urea
CID 110775953
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509
1-cyclopentyl-3-[2-(4-ethylsulfanylphenyl)ethyl]urea
CID 110776107
1-cyclopentyl-3-[2-(4-ethylsulfonylphenyl)ethyl]urea
CID 110776114

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[2-(5-propyl-1-benzofuran-3-yl)ethyl]urea?
The IUPAC name of 1-cyclobutyl-3-[2-(5-propyl-1-benzofuran-3-yl)ethyl]urea (CID 21460951) is 1-cyclobutyl-3-[2-(5-propyl-1-benzofuran-3-yl)ethyl]urea.
What is the SMILES notation for 1-cyclobutyl-3-[2-(5-propyl-1-benzofuran-3-yl)ethyl]urea?
The canonical SMILES for 1-cyclobutyl-3-[2-(5-propyl-1-benzofuran-3-yl)ethyl]urea is CCCc1ccc2occ(CCNC(=O)NC3CCC3)c2c1.
What is the InChIKey of 1-cyclobutyl-3-[2-(5-propyl-1-benzofuran-3-yl)ethyl]urea?
The InChIKey is ISCDZLLYGZGZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-2-4-13-7-8-17-16(11-13)14(12-22-17)9-10-19-18(21)20-15-5-3-6-15/h7-8,11-12,15H,2-6,9-10H2,1H3,(H2,19,20,21).
What are the key properties of 1-cyclobutyl-3-[2-(5-propyl-1-benzofuran-3-yl)ethyl]urea?
1-cyclobutyl-3-[2-(5-propyl-1-benzofuran-3-yl)ethyl]urea has a molecular weight of 300.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[2-(5-propyl-1-benzofuran-3-yl)ethyl]urea is sourced from PubChem (CID 21460951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).