1-butyl-3-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]urea

C15H33N3O3 — CID 22381391

IUPAC1-butyl-3-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]urea
SMILESCCCCNCCOCCOCCNC(=O)NCCCC
InChIInChI=1S/C15H33N3O3/c1-3-5-7-16-9-11-20-13-14-21-12-10-18-15(19)17-8-6-4-2/h16H,3-14H2,1-2H3,(H2,17,18,19)
InChIKeyNFPVEKIIKVDMJQ-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.51
Rot. Bonds15

About 1-butyl-3-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]urea

1-butyl-3-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]urea (PubChem CID 22381391) has the molecular formula C15H33N3O3 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-butyl-3-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]urea.

Molecular Properties

Compound Name1-butyl-3-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]urea
PubChem CID22381391
Molecular FormulaC15H33N3O3
Molecular Weight303.45 g/mol
Exact Mass303.25
IUPAC Name1-butyl-3-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]urea
SMILESCCCCNCCOCCOCCNC(=O)NCCCC
InChIInChI=1S/C15H33N3O3/c1-3-5-7-16-9-11-20-13-14-21-12-10-18-15(19)17-8-6-4-2/h16H,3-14H2,1-2H3,(H2,17,18,19)
InChIKeyNFPVEKIIKVDMJQ-UHFFFAOYSA-N
XLogP1.51
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]urea?
The IUPAC name of 1-butyl-3-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]urea (CID 22381391) is 1-butyl-3-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]urea.
What is the SMILES notation for 1-butyl-3-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]urea?
The canonical SMILES for 1-butyl-3-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]urea is CCCCNCCOCCOCCNC(=O)NCCCC.
What is the InChIKey of 1-butyl-3-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]urea?
The InChIKey is NFPVEKIIKVDMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O3/c1-3-5-7-16-9-11-20-13-14-21-12-10-18-15(19)17-8-6-4-2/h16H,3-14H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-butyl-3-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]urea?
1-butyl-3-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]urea has a molecular weight of 303.45 g/mol, XLogP of 1.51, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]urea is sourced from PubChem (CID 22381391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).