1-(3-ethoxypropyl)-3-ethylurea

C8H18N2O2 — CID 108890430

IUPAC1-(3-ethoxypropyl)-3-ethylurea
SMILESCCNC(=O)NCCCOCC
InChIInChI=1S/C8H18N2O2/c1-3-9-8(11)10-6-5-7-12-4-2/h3-7H2,1-2H3,(H2,9,10,11)
InChIKeyIXWRMKKVMHGGHK-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.73
Rot. Bonds6

About 1-(3-ethoxypropyl)-3-ethylurea

1-(3-ethoxypropyl)-3-ethylurea (PubChem CID 108890430) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-ethylurea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-ethylurea
PubChem CID108890430
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name1-(3-ethoxypropyl)-3-ethylurea
SMILESCCNC(=O)NCCCOCC
InChIInChI=1S/C8H18N2O2/c1-3-9-8(11)10-6-5-7-12-4-2/h3-7H2,1-2H3,(H2,9,10,11)
InChIKeyIXWRMKKVMHGGHK-UHFFFAOYSA-N
XLogP0.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.73
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-ethyl-3-[3-[3-(methylamino)propoxy]propyl]urea
CID 22381303
1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea
CID 22381487
1-butyl-3-(2-ethoxyethyl)urea
CID 115583017
1-ethenyl-3-(3-ethoxypropyl)urea
CID 108909070
1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea
CID 131888361
N-(3-ethoxypropyl)-3-(ethylamino)propanamide
CID 62832106
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
2-(3-ethoxypropylcarbamoylamino)-2-methylpentanoic acid
CID 61190758
1-[(3-ethoxypropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433979

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-ethylurea?
The IUPAC name of 1-(3-ethoxypropyl)-3-ethylurea (CID 108890430) is 1-(3-ethoxypropyl)-3-ethylurea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-ethylurea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-ethylurea is CCNC(=O)NCCCOCC.
What is the InChIKey of 1-(3-ethoxypropyl)-3-ethylurea?
The InChIKey is IXWRMKKVMHGGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-3-9-8(11)10-6-5-7-12-4-2/h3-7H2,1-2H3,(H2,9,10,11).
What are the key properties of 1-(3-ethoxypropyl)-3-ethylurea?
1-(3-ethoxypropyl)-3-ethylurea has a molecular weight of 174.24 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-ethylurea is sourced from PubChem (CID 108890430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).