1-ethenyl-3-(3-ethoxypropyl)urea

C8H16N2O2 — CID 108909070

IUPAC1-ethenyl-3-(3-ethoxypropyl)urea
SMILESC=CNC(=O)NCCCOCC
InChIInChI=1S/C8H16N2O2/c1-3-9-8(11)10-6-5-7-12-4-2/h3H,1,4-7H2,2H3,(H2,9,10,11)
InChIKeyVWPJMHURQQZHMH-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.86
Rot. Bonds6

About 1-ethenyl-3-(3-ethoxypropyl)urea

1-ethenyl-3-(3-ethoxypropyl)urea (PubChem CID 108909070) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-ethenyl-3-(3-ethoxypropyl)urea.

Molecular Properties

Compound Name1-ethenyl-3-(3-ethoxypropyl)urea
PubChem CID108909070
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-ethenyl-3-(3-ethoxypropyl)urea
SMILESC=CNC(=O)NCCCOCC
InChIInChI=1S/C8H16N2O2/c1-3-9-8(11)10-6-5-7-12-4-2/h3H,1,4-7H2,2H3,(H2,9,10,11)
InChIKeyVWPJMHURQQZHMH-UHFFFAOYSA-N
XLogP0.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.86
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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Related Compounds

1-(3-ethoxypropyl)-3-ethylurea
CID 108890430
1-butyl-3-(2-ethoxyethyl)urea
CID 115583017
N-[3-(2-ethoxyethoxy)propyl]acetamide
CID 129212456
N-(3-ethoxypropyl)-2,2-dimethylpropanamide
CID 60717995
N-(3-ethoxypropyl)-2-methylbutanamide
CID 88934597
3-(3-ethoxypropylamino)-3-oxopropanoic acid
CID 62232046
methyl 2-(3-ethoxypropylcarbamoylamino)-3-methylpentanoate
CID 3755808
N-(3-ethoxypropyl)-3-(ethylamino)propanamide
CID 62832106
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-ethoxypropyl)urea
CID 108908330
N-(3-ethoxypropyl)-2-methoxypropanamide
CID 115588519
N'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide
CID 108505337
2,2,2-tribromo-N-(3-ethoxypropyl)acetamide
CID 20741094

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-(3-ethoxypropyl)urea?
The IUPAC name of 1-ethenyl-3-(3-ethoxypropyl)urea (CID 108909070) is 1-ethenyl-3-(3-ethoxypropyl)urea.
What is the SMILES notation for 1-ethenyl-3-(3-ethoxypropyl)urea?
The canonical SMILES for 1-ethenyl-3-(3-ethoxypropyl)urea is C=CNC(=O)NCCCOCC.
What is the InChIKey of 1-ethenyl-3-(3-ethoxypropyl)urea?
The InChIKey is VWPJMHURQQZHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-9-8(11)10-6-5-7-12-4-2/h3H,1,4-7H2,2H3,(H2,9,10,11).
What are the key properties of 1-ethenyl-3-(3-ethoxypropyl)urea?
1-ethenyl-3-(3-ethoxypropyl)urea has a molecular weight of 172.23 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-(3-ethoxypropyl)urea is sourced from PubChem (CID 108909070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).