1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea

C13H22N2O4 — CID 75431227

IUPAC1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea
SMILESCC(C)CONC(=O)NCCCOCc1ccco1
InChIInChI=1S/C13H22N2O4/c1-11(2)9-19-15-13(16)14-6-4-7-17-10-12-5-3-8-18-12/h3,5,8,11H,4,6-7,9-10H2,1-2H3,(H2,14,15,16)
InChIKeyBBUJQEQTGJTXIC-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.07
Rot. Bonds9

About 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea

1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea (PubChem CID 75431227) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea.

Molecular Properties

Compound Name1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea
PubChem CID75431227
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea
SMILESCC(C)CONC(=O)NCCCOCc1ccco1
InChIInChI=1S/C13H22N2O4/c1-11(2)9-19-15-13(16)14-6-4-7-17-10-12-5-3-8-18-12/h3,5,8,11H,4,6-7,9-10H2,1-2H3,(H2,14,15,16)
InChIKeyBBUJQEQTGJTXIC-UHFFFAOYSA-N
XLogP2.07
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496827
2-(butan-2-ylamino)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 60719966
1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea
CID 31964425
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110979106
3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide
CID 113307628
tert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate
CID 103821653
2-amino-N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfonylbutanamide
CID 61273619
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea
CID 24528840
N-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide
CID 78835063
1-[3-(furan-2-ylmethoxy)propyl]-3-(4-hydroxycyclohexyl)urea
CID 110892535
N-[3-(furan-2-ylmethoxy)propyl]-2-(4-phenylphenoxy)propanamide
CID 55615781
3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 61251673

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea?
The IUPAC name of 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea (CID 75431227) is 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea.
What is the SMILES notation for 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea?
The canonical SMILES for 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea is CC(C)CONC(=O)NCCCOCc1ccco1.
What is the InChIKey of 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea?
The InChIKey is BBUJQEQTGJTXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-11(2)9-19-15-13(16)14-6-4-7-17-10-12-5-3-8-18-12/h3,5,8,11H,4,6-7,9-10H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea?
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea has a molecular weight of 270.33 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea is sourced from PubChem (CID 75431227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).