1,1-diethyl-3-(3-propan-2-yloxypropyl)urea

C11H24N2O2 — CID 17257301

IUPAC1,1-diethyl-3-(3-propan-2-yloxypropyl)urea
SMILESCCN(CC)C(=O)NCCCOC(C)C
InChIInChI=1S/C11H24N2O2/c1-5-13(6-2)11(14)12-8-7-9-15-10(3)4/h10H,5-9H2,1-4H3,(H,12,14)
InChIKeyLCINTJWPAXBGQW-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.85
Rot. Bonds7

About 1,1-diethyl-3-(3-propan-2-yloxypropyl)urea

1,1-diethyl-3-(3-propan-2-yloxypropyl)urea (PubChem CID 17257301) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1,1-diethyl-3-(3-propan-2-yloxypropyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(3-propan-2-yloxypropyl)urea
PubChem CID17257301
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name1,1-diethyl-3-(3-propan-2-yloxypropyl)urea
SMILESCCN(CC)C(=O)NCCCOC(C)C
InChIInChI=1S/C11H24N2O2/c1-5-13(6-2)11(14)12-8-7-9-15-10(3)4/h10H,5-9H2,1-4H3,(H,12,14)
InChIKeyLCINTJWPAXBGQW-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-diethyl-3-(3-propan-2-yloxypropyl)urea?
The IUPAC name of 1,1-diethyl-3-(3-propan-2-yloxypropyl)urea (CID 17257301) is 1,1-diethyl-3-(3-propan-2-yloxypropyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(3-propan-2-yloxypropyl)urea?
The canonical SMILES for 1,1-diethyl-3-(3-propan-2-yloxypropyl)urea is CCN(CC)C(=O)NCCCOC(C)C.
What is the InChIKey of 1,1-diethyl-3-(3-propan-2-yloxypropyl)urea?
The InChIKey is LCINTJWPAXBGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-13(6-2)11(14)12-8-7-9-15-10(3)4/h10H,5-9H2,1-4H3,(H,12,14).
What are the key properties of 1,1-diethyl-3-(3-propan-2-yloxypropyl)urea?
1,1-diethyl-3-(3-propan-2-yloxypropyl)urea has a molecular weight of 216.32 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(3-propan-2-yloxypropyl)urea is sourced from PubChem (CID 17257301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).