1-(2-ethyl-2-hydroxybutyl)-3-[2-(3-fluorophenoxy)ethyl]urea

C15H23FN2O3 — CID 110910257

IUPAC1-(2-ethyl-2-hydroxybutyl)-3-[2-(3-fluorophenoxy)ethyl]urea
SMILESCCC(O)(CC)CNC(=O)NCCOc1cccc(F)c1
InChIInChI=1S/C15H23FN2O3/c1-3-15(20,4-2)11-18-14(19)17-8-9-21-13-7-5-6-12(16)10-13/h5-7,10,20H,3-4,8-9,11H2,1-2H3,(H2,17,18,19)
InChIKeyQROIURLOPGCQPY-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.05
Rot. Bonds8

About 1-(2-ethyl-2-hydroxybutyl)-3-[2-(3-fluorophenoxy)ethyl]urea

1-(2-ethyl-2-hydroxybutyl)-3-[2-(3-fluorophenoxy)ethyl]urea (PubChem CID 110910257) has the molecular formula C15H23FN2O3 and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-(2-ethyl-2-hydroxybutyl)-3-[2-(3-fluorophenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2-ethyl-2-hydroxybutyl)-3-[2-(3-fluorophenoxy)ethyl]urea
PubChem CID110910257
Molecular FormulaC15H23FN2O3
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC Name1-(2-ethyl-2-hydroxybutyl)-3-[2-(3-fluorophenoxy)ethyl]urea
SMILESCCC(O)(CC)CNC(=O)NCCOc1cccc(F)c1
InChIInChI=1S/C15H23FN2O3/c1-3-15(20,4-2)11-18-14(19)17-8-9-21-13-7-5-6-12(16)10-13/h5-7,10,20H,3-4,8-9,11H2,1-2H3,(H2,17,18,19)
InChIKeyQROIURLOPGCQPY-UHFFFAOYSA-N
XLogP2.05
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.05
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-[2-(3-fluorophenoxy)ethyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111504937
1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970330
ethyl 7-[2-(3-fluorophenoxy)ethylcarbamoylamino]heptanoate
CID 55809428
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
N-(2-ethyl-2-hydroxybutyl)-2-(3-fluorophenoxy)propanamide
CID 65113929
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970338
1-[4-(diethylamino)phenyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970404
2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide
CID 166427822
(2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylpentanamide
CID 110482529
2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide
CID 110481408
N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide
CID 65111998

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-2-hydroxybutyl)-3-[2-(3-fluorophenoxy)ethyl]urea?
The IUPAC name of 1-(2-ethyl-2-hydroxybutyl)-3-[2-(3-fluorophenoxy)ethyl]urea (CID 110910257) is 1-(2-ethyl-2-hydroxybutyl)-3-[2-(3-fluorophenoxy)ethyl]urea.
What is the SMILES notation for 1-(2-ethyl-2-hydroxybutyl)-3-[2-(3-fluorophenoxy)ethyl]urea?
The canonical SMILES for 1-(2-ethyl-2-hydroxybutyl)-3-[2-(3-fluorophenoxy)ethyl]urea is CCC(O)(CC)CNC(=O)NCCOc1cccc(F)c1.
What is the InChIKey of 1-(2-ethyl-2-hydroxybutyl)-3-[2-(3-fluorophenoxy)ethyl]urea?
The InChIKey is QROIURLOPGCQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3/c1-3-15(20,4-2)11-18-14(19)17-8-9-21-13-7-5-6-12(16)10-13/h5-7,10,20H,3-4,8-9,11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(2-ethyl-2-hydroxybutyl)-3-[2-(3-fluorophenoxy)ethyl]urea?
1-(2-ethyl-2-hydroxybutyl)-3-[2-(3-fluorophenoxy)ethyl]urea has a molecular weight of 298.36 g/mol, XLogP of 2.05, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2-hydroxybutyl)-3-[2-(3-fluorophenoxy)ethyl]urea is sourced from PubChem (CID 110910257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).