1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea

C14H24N2O3 — CID 75388410

IUPAC1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)NCCC1=CCOCC1)C1CCCO1
InChIInChI=1S/C14H24N2O3/c1-11(13-3-2-8-19-13)16-14(17)15-7-4-12-5-9-18-10-6-12/h5,11,13H,2-4,6-10H2,1H3,(H2,15,16,17)
InChIKeyRPLDGBPHXWEMQD-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.59
Rot. Bonds5

About 1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea

1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea (PubChem CID 75388410) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
PubChem CID75388410
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)NCCC1=CCOCC1)C1CCCO1
InChIInChI=1S/C14H24N2O3/c1-11(13-3-2-8-19-13)16-14(17)15-7-4-12-5-9-18-10-6-12/h5,11,13H,2-4,6-10H2,1H3,(H2,15,16,17)
InChIKeyRPLDGBPHXWEMQD-UHFFFAOYSA-N
XLogP1.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea (CID 75388410) is 1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea is CC(NC(=O)NCCC1=CCOCC1)C1CCCO1.
What is the InChIKey of 1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The InChIKey is RPLDGBPHXWEMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11(13-3-2-8-19-13)16-14(17)15-7-4-12-5-9-18-10-6-12/h5,11,13H,2-4,6-10H2,1H3,(H2,15,16,17).
What are the key properties of 1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea has a molecular weight of 268.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 75388410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).