1-butyl-3-(3-hydroxypropyl)-1-propylurea

C11H24N2O2 — CID 127578321

IUPAC1-butyl-3-(3-hydroxypropyl)-1-propylurea
SMILESCCCCN(CCC)C(=O)NCCCO
InChIInChI=1S/C11H24N2O2/c1-3-5-9-13(8-4-2)11(15)12-7-6-10-14/h14H,3-10H2,1-2H3,(H,12,15)
InChIKeyQRJZNGNMEQCVAU-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.59
Rot. Bonds8

About 1-butyl-3-(3-hydroxypropyl)-1-propylurea

1-butyl-3-(3-hydroxypropyl)-1-propylurea (PubChem CID 127578321) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-butyl-3-(3-hydroxypropyl)-1-propylurea.

Molecular Properties

Compound Name1-butyl-3-(3-hydroxypropyl)-1-propylurea
PubChem CID127578321
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name1-butyl-3-(3-hydroxypropyl)-1-propylurea
SMILESCCCCN(CCC)C(=O)NCCCO
InChIInChI=1S/C11H24N2O2/c1-3-5-9-13(8-4-2)11(15)12-7-6-10-14/h14H,3-10H2,1-2H3,(H,12,15)
InChIKeyQRJZNGNMEQCVAU-UHFFFAOYSA-N
XLogP1.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
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-butyl-3-(3-hydroxypropyl)-1-propylurea?
The IUPAC name of 1-butyl-3-(3-hydroxypropyl)-1-propylurea (CID 127578321) is 1-butyl-3-(3-hydroxypropyl)-1-propylurea.
What is the SMILES notation for 1-butyl-3-(3-hydroxypropyl)-1-propylurea?
The canonical SMILES for 1-butyl-3-(3-hydroxypropyl)-1-propylurea is CCCCN(CCC)C(=O)NCCCO.
What is the InChIKey of 1-butyl-3-(3-hydroxypropyl)-1-propylurea?
The InChIKey is QRJZNGNMEQCVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-5-9-13(8-4-2)11(15)12-7-6-10-14/h14H,3-10H2,1-2H3,(H,12,15).
What are the key properties of 1-butyl-3-(3-hydroxypropyl)-1-propylurea?
1-butyl-3-(3-hydroxypropyl)-1-propylurea has a molecular weight of 216.32 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(3-hydroxypropyl)-1-propylurea is sourced from PubChem (CID 127578321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).