2-(3-oxobutoxy)ethylurea

C7H14N2O3 — CID 176664573

IUPAC2-(3-oxobutoxy)ethylurea
SMILESCC(=O)CCOCCNC(N)=O
InChIInChI=1S/C7H14N2O3/c1-6(10)2-4-12-5-3-9-7(8)11/h2-5H2,1H3,(H3,8,9,11)
InChIKeyWCNVSRDZQVRDCY-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.35
Rot. Bonds6

About 2-(3-oxobutoxy)ethylurea

2-(3-oxobutoxy)ethylurea (PubChem CID 176664573) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(3-oxobutoxy)ethylurea.

Molecular Properties

Compound Name2-(3-oxobutoxy)ethylurea
PubChem CID176664573
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name2-(3-oxobutoxy)ethylurea
SMILESCC(=O)CCOCCNC(N)=O
InChIInChI=1S/C7H14N2O3/c1-6(10)2-4-12-5-3-9-7(8)11/h2-5H2,1H3,(H3,8,9,11)
InChIKeyWCNVSRDZQVRDCY-UHFFFAOYSA-N
XLogP-0.35
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-oxobutoxy)ethyl]propanamide
CID 170259518
ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
CID 145408337
3-[2-(2-aminoethoxy)ethoxy]-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 145049533
ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 176578249
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethylurea
CID 71392373
4-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 170145054
4-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 90086925
4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one
CID 59450621
3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide
CID 176714971
N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 88581795
2-methoxy-N-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 118668919
3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 146640391

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxobutoxy)ethylurea?
The IUPAC name of 2-(3-oxobutoxy)ethylurea (CID 176664573) is 2-(3-oxobutoxy)ethylurea.
What is the SMILES notation for 2-(3-oxobutoxy)ethylurea?
The canonical SMILES for 2-(3-oxobutoxy)ethylurea is CC(=O)CCOCCNC(N)=O.
What is the InChIKey of 2-(3-oxobutoxy)ethylurea?
The InChIKey is WCNVSRDZQVRDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-6(10)2-4-12-5-3-9-7(8)11/h2-5H2,1H3,(H3,8,9,11).
What are the key properties of 2-(3-oxobutoxy)ethylurea?
2-(3-oxobutoxy)ethylurea has a molecular weight of 174.20 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxobutoxy)ethylurea is sourced from PubChem (CID 176664573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).