1-(2-ethoxyethyl)-3-(3-hydroxybutyl)urea

C9H20N2O3 — CID 111337128

IUPAC1-(2-ethoxyethyl)-3-(3-hydroxybutyl)urea
SMILESCCOCCNC(=O)NCCC(C)O
InChIInChI=1S/C9H20N2O3/c1-3-14-7-6-11-9(13)10-5-4-8(2)12/h8,12H,3-7H2,1-2H3,(H2,10,11,13)
InChIKeyCPDPIEJGJSBLLX-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.09
Rot. Bonds7

About 1-(2-ethoxyethyl)-3-(3-hydroxybutyl)urea

1-(2-ethoxyethyl)-3-(3-hydroxybutyl)urea (PubChem CID 111337128) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-(3-hydroxybutyl)urea
PubChem CID111337128
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name1-(2-ethoxyethyl)-3-(3-hydroxybutyl)urea
SMILESCCOCCNC(=O)NCCC(C)O
InChIInChI=1S/C9H20N2O3/c1-3-14-7-6-11-9(13)10-5-4-8(2)12/h8,12H,3-7H2,1-2H3,(H2,10,11,13)
InChIKeyCPDPIEJGJSBLLX-UHFFFAOYSA-N
XLogP0.09
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.09
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-butyl-3-(2-ethoxyethyl)urea
CID 115583017
2-[(2-ethoxyethylcarbamoylamino)methyl]pentanoic acid
CID 65223178
1,3-bis(3-hydroxybutoxymethyl)urea
CID 71340029
N-(2-ethoxyethyl)-3-methylbutanamide
CID 58439580
1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336885
4-(2-butoxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80541936
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337271
(2S)-4-amino-2-(2-ethoxyethylcarbamoylamino)-4-oxobutanoic acid
CID 63716980
2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 62478307
1-(3-ethoxypropyl)-3-ethylurea
CID 108890430
2-[(2-ethoxyethylcarbamoylamino)methyl]-2-ethylbutanoic acid
CID 115430890
(2S)-2-amino-N-(2-ethoxyethyl)pentanamide
CID 107568294

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-(2-ethoxyethyl)-3-(3-hydroxybutyl)urea (CID 111337128) is 1-(2-ethoxyethyl)-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-(2-ethoxyethyl)-3-(3-hydroxybutyl)urea is CCOCCNC(=O)NCCC(C)O.
What is the InChIKey of 1-(2-ethoxyethyl)-3-(3-hydroxybutyl)urea?
The InChIKey is CPDPIEJGJSBLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-3-14-7-6-11-9(13)10-5-4-8(2)12/h8,12H,3-7H2,1-2H3,(H2,10,11,13).
What are the key properties of 1-(2-ethoxyethyl)-3-(3-hydroxybutyl)urea?
1-(2-ethoxyethyl)-3-(3-hydroxybutyl)urea has a molecular weight of 204.27 g/mol, XLogP of 0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111337128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).