1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea

C13H29N3O2 — CID 22381487

IUPAC1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea
SMILESCCCCNCCCOCCCNC(=O)NCC
InChIInChI=1S/C13H29N3O2/c1-3-5-8-14-9-6-11-18-12-7-10-16-13(17)15-4-2/h14H,3-12H2,1-2H3,(H2,15,16,17)
InChIKeyFSJROVGLZYLFPM-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.49
Rot. Bonds12

About 1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea

1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea (PubChem CID 22381487) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea.

Molecular Properties

Compound Name1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea
PubChem CID22381487
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea
SMILESCCCCNCCCOCCCNC(=O)NCC
InChIInChI=1S/C13H29N3O2/c1-3-5-8-14-9-6-11-18-12-7-10-16-13(17)15-4-2/h14H,3-12H2,1-2H3,(H2,15,16,17)
InChIKeyFSJROVGLZYLFPM-UHFFFAOYSA-N
XLogP1.49
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(butylamino)propyl]-3-ethylurea
CID 22381484
1-ethyl-3-[3-[3-(methylamino)propoxy]propyl]urea
CID 22381303
1-(3-ethoxypropyl)-3-ethylurea
CID 108890430
3-[3-(butylamino)propoxy]propyl N-butylcarbamate
CID 87800133
1-(3-butoxypropyl)-3-(3-oxobutyl)urea
CID 108894998
1-ethyl-3-[3-[7-[3-(ethylcarbamoylamino)propylamino]heptylamino]propyl]urea;methane
CID 162179209
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
1-butyl-3-(2-ethoxyethyl)urea
CID 115583017
N-ethyl-2-(3-propoxypropylamino)acetamide
CID 82943813
N-[2-(3-propoxypropylamino)ethyl]acetamide
CID 107529829
2-[2-(butylamino)ethoxy]ethyl N-ethylcarbamate
CID 87800399
1-(3-propoxypropyl)-3-(2,2,2-trifluoroethyl)urea
CID 116657251

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea?
The IUPAC name of 1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea (CID 22381487) is 1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea.
What is the SMILES notation for 1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea?
The canonical SMILES for 1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea is CCCCNCCCOCCCNC(=O)NCC.
What is the InChIKey of 1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea?
The InChIKey is FSJROVGLZYLFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-3-5-8-14-9-6-11-18-12-7-10-16-13(17)15-4-2/h14H,3-12H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea?
1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea has a molecular weight of 259.39 g/mol, XLogP of 1.49, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea is sourced from PubChem (CID 22381487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).