1-[2-[2-(butylamino)ethoxy]ethyl]-3-ethylurea

C11H25N3O2 — CID 22381443

IUPAC1-[2-[2-(butylamino)ethoxy]ethyl]-3-ethylurea
SMILESCCCCNCCOCCNC(=O)NCC
InChIInChI=1S/C11H25N3O2/c1-3-5-6-12-7-9-16-10-8-14-11(15)13-4-2/h12H,3-10H2,1-2H3,(H2,13,14,15)
InChIKeyMKDJESUUTOYOGA-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.71
Rot. Bonds10

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

1-[2-[2-(butylamino)ethoxy]ethyl]-3-ethylurea (PubChem CID 22381443) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[2-[2-(butylamino)ethoxy]ethyl]-3-ethylurea.

Molecular Properties

Compound Name1-[2-[2-(butylamino)ethoxy]ethyl]-3-ethylurea
PubChem CID22381443
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name1-[2-[2-(butylamino)ethoxy]ethyl]-3-ethylurea
SMILESCCCCNCCOCCNC(=O)NCC
InChIInChI=1S/C11H25N3O2/c1-3-5-6-12-7-9-16-10-8-14-11(15)13-4-2/h12H,3-10H2,1-2H3,(H2,13,14,15)
InChIKeyMKDJESUUTOYOGA-UHFFFAOYSA-N
XLogP0.71
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.71
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

Butyl-carbamic acid 2-(3-methyl-ureido)-ethyl ester
CID 650127
N,N'-dibutyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide
CID 657534
1-Butyl-3-(2-morpholinoethyl)urea
CID 1632256
N-(3-ethoxypropyl)morpholine-4-carboxamide
CID 2180707
N,N'-dibutyl-1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarboxamide
CID 657657
Urea, N,N'-bis(2-methoxyethyl)-
CID 81288
N-(pentan-2-yl)morpholine-4-carboxamide
CID 3137306
N-(3-methoxypropyl)morpholine-4-carboxamide
CID 3136313
1-(2-Methoxyethyl)-3-(4-(pyrrolidin-1-yl)but-2-yn-1-yl)urea
CID 71792601
N-(2-methylpropyl)morpholine-4-carboxamide
CID 3410823
(2S,6R)-2,6-dimethyl-N-(4-propan-2-yloxybutyl)morpholine-4-carboxamide
CID 75502454
(2S)-N-(3-fluorobutyl)-2-methylmorpholine-4-carboxamide
CID 126793875

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(butylamino)ethoxy]ethyl]-3-ethylurea?
The IUPAC name of 1-[2-[2-(butylamino)ethoxy]ethyl]-3-ethylurea (CID 22381443) is 1-[2-[2-(butylamino)ethoxy]ethyl]-3-ethylurea.
What is the SMILES notation for 1-[2-[2-(butylamino)ethoxy]ethyl]-3-ethylurea?
The canonical SMILES for 1-[2-[2-(butylamino)ethoxy]ethyl]-3-ethylurea is CCCCNCCOCCNC(=O)NCC.
What is the InChIKey of 1-[2-[2-(butylamino)ethoxy]ethyl]-3-ethylurea?
The InChIKey is MKDJESUUTOYOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-3-5-6-12-7-9-16-10-8-14-11(15)13-4-2/h12H,3-10H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-[2-[2-(butylamino)ethoxy]ethyl]-3-ethylurea?
1-[2-[2-(butylamino)ethoxy]ethyl]-3-ethylurea has a molecular weight of 231.34 g/mol, XLogP of 0.71, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(butylamino)ethoxy]ethyl]-3-ethylurea is sourced from PubChem (CID 22381443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).