1-(oxolan-3-yl)-3-(3-propoxypropyl)urea

C11H22N2O3 — CID 116657253

IUPAC1-(oxolan-3-yl)-3-(3-propoxypropyl)urea
SMILESCCCOCCCNC(=O)NC1CCOC1
InChIInChI=1S/C11H22N2O3/c1-2-6-15-7-3-5-12-11(14)13-10-4-8-16-9-10/h10H,2-9H2,1H3,(H2,12,13,14)
InChIKeyZBERPXHKBJREIN-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.89
Rot. Bonds7

About 1-(oxolan-3-yl)-3-(3-propoxypropyl)urea

1-(oxolan-3-yl)-3-(3-propoxypropyl)urea (PubChem CID 116657253) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-3-(3-propoxypropyl)urea.

Molecular Properties

Compound Name1-(oxolan-3-yl)-3-(3-propoxypropyl)urea
PubChem CID116657253
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name1-(oxolan-3-yl)-3-(3-propoxypropyl)urea
SMILESCCCOCCCNC(=O)NC1CCOC1
InChIInChI=1S/C11H22N2O3/c1-2-6-15-7-3-5-12-11(14)13-10-4-8-16-9-10/h10H,2-9H2,1H3,(H2,12,13,14)
InChIKeyZBERPXHKBJREIN-UHFFFAOYSA-N
XLogP0.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.89
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

1-butyl-3-(oxolan-3-yl)urea
CID 115755742
1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea
CID 115759183
N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide
CID 115759237
1-(4-aminopentyl)-3-(oxolan-3-yl)urea
CID 106125032
1-[4-[methyl(propan-2-yl)amino]butyl]-3-(oxolan-3-yl)urea
CID 115758991
1-(5-amino-4-methylpentyl)-3-(oxolan-3-yl)urea
CID 106153750
1-(2,2-dimethylheptyl)-3-(oxolan-3-yl)urea
CID 115759165
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-(oxolan-3-yl)urea
CID 113321959
1-[2-(3-methylphenoxy)ethyl]-3-(oxolan-3-yl)urea
CID 115758238
4-(oxan-3-ylcarbamoylamino)butanoic acid
CID 63361595
1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
CID 113321980
(2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid
CID 107144880

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-3-(3-propoxypropyl)urea?
The IUPAC name of 1-(oxolan-3-yl)-3-(3-propoxypropyl)urea (CID 116657253) is 1-(oxolan-3-yl)-3-(3-propoxypropyl)urea.
What is the SMILES notation for 1-(oxolan-3-yl)-3-(3-propoxypropyl)urea?
The canonical SMILES for 1-(oxolan-3-yl)-3-(3-propoxypropyl)urea is CCCOCCCNC(=O)NC1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-3-(3-propoxypropyl)urea?
The InChIKey is ZBERPXHKBJREIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-2-6-15-7-3-5-12-11(14)13-10-4-8-16-9-10/h10H,2-9H2,1H3,(H2,12,13,14).
What are the key properties of 1-(oxolan-3-yl)-3-(3-propoxypropyl)urea?
1-(oxolan-3-yl)-3-(3-propoxypropyl)urea has a molecular weight of 230.31 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-3-(3-propoxypropyl)urea is sourced from PubChem (CID 116657253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).