1-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-(3-hydroxypropyl)urea

C15H26N2O3 — CID 111175801

IUPAC1-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-(3-hydroxypropyl)urea
SMILESCCc1ccc(C(NC(=O)NCCCO)C(C)(C)C)o1
InChIInChI=1S/C15H26N2O3/c1-5-11-7-8-12(20-11)13(15(2,3)4)17-14(19)16-9-6-10-18/h7-8,13,18H,5-6,9-10H2,1-4H3,(H2,16,17,19)
InChIKeyJSZGBSJIDDAWNA-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.61
Rot. Bonds6

About 1-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-(3-hydroxypropyl)urea

1-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-(3-hydroxypropyl)urea (PubChem CID 111175801) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-(3-hydroxypropyl)urea
PubChem CID111175801
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-(3-hydroxypropyl)urea
SMILESCCc1ccc(C(NC(=O)NCCCO)C(C)(C)C)o1
InChIInChI=1S/C15H26N2O3/c1-5-11-7-8-12(20-11)13(15(2,3)4)17-14(19)16-9-6-10-18/h7-8,13,18H,5-6,9-10H2,1-4H3,(H2,16,17,19)
InChIKeyJSZGBSJIDDAWNA-UHFFFAOYSA-N
XLogP2.61
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-(3-hydroxypropyl)urea (CID 111175801) is 1-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-(3-hydroxypropyl)urea is CCc1ccc(C(NC(=O)NCCCO)C(C)(C)C)o1.
What is the InChIKey of 1-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-(3-hydroxypropyl)urea?
The InChIKey is JSZGBSJIDDAWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-11-7-8-12(20-11)13(15(2,3)4)17-14(19)16-9-6-10-18/h7-8,13,18H,5-6,9-10H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-(3-hydroxypropyl)urea?
1-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-(3-hydroxypropyl)urea has a molecular weight of 282.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-(3-hydroxypropyl)urea is sourced from PubChem (CID 111175801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).