1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2-phenylbutyl)urea

C19H26N2O3 — CID 111454908

IUPAC1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2-phenylbutyl)urea
SMILESCc1cc(C(C)NC(=O)NCC(CCO)c2ccccc2)c(C)o1
InChIInChI=1S/C19H26N2O3/c1-13-11-18(15(3)24-13)14(2)21-19(23)20-12-17(9-10-22)16-7-5-4-6-8-16/h4-8,11,14,17,22H,9-10,12H2,1-3H3,(H2,20,21,23)
InChIKeySWQUZVOKQYFQSQ-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.42
Rot. Bonds7

About 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2-phenylbutyl)urea

1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2-phenylbutyl)urea (PubChem CID 111454908) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2-phenylbutyl)urea.

Molecular Properties

Compound Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2-phenylbutyl)urea
PubChem CID111454908
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2-phenylbutyl)urea
SMILESCc1cc(C(C)NC(=O)NCC(CCO)c2ccccc2)c(C)o1
InChIInChI=1S/C19H26N2O3/c1-13-11-18(15(3)24-13)14(2)21-19(23)20-12-17(9-10-22)16-7-5-4-6-8-16/h4-8,11,14,17,22H,9-10,12H2,1-3H3,(H2,20,21,23)
InChIKeySWQUZVOKQYFQSQ-UHFFFAOYSA-N
XLogP3.42
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-hydroxy-2-phenylbutyl)urea
CID 111450680
(2S)-3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 107839410
3-[[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 81066841
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110908567
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 60597967
1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea
CID 111503751
1-(4-hydroxy-2-phenylbutyl)-3-[(3-methylphenyl)methyl]urea
CID 111450411
1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111452788
1-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea
CID 111505380
(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-phenylethanol
CID 107093791
(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]pentanoic acid
CID 107566688
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111121109

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2-phenylbutyl)urea?
The IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2-phenylbutyl)urea (CID 111454908) is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2-phenylbutyl)urea.
What is the SMILES notation for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2-phenylbutyl)urea?
The canonical SMILES for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2-phenylbutyl)urea is Cc1cc(C(C)NC(=O)NCC(CCO)c2ccccc2)c(C)o1.
What is the InChIKey of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2-phenylbutyl)urea?
The InChIKey is SWQUZVOKQYFQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13-11-18(15(3)24-13)14(2)21-19(23)20-12-17(9-10-22)16-7-5-4-6-8-16/h4-8,11,14,17,22H,9-10,12H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2-phenylbutyl)urea?
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2-phenylbutyl)urea has a molecular weight of 330.43 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2-phenylbutyl)urea is sourced from PubChem (CID 111454908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).