1-(2-ethoxyethyl)-3-(2-hydroxy-3-phenylpropyl)urea

C14H22N2O3 — CID 110937061

IUPAC1-(2-ethoxyethyl)-3-(2-hydroxy-3-phenylpropyl)urea
SMILESCCOCCNC(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C14H22N2O3/c1-2-19-9-8-15-14(18)16-11-13(17)10-12-6-4-3-5-7-12/h3-7,13,17H,2,8-11H2,1H3,(H2,15,16,18)
InChIKeyGPMLGODMUVADDV-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.93
Rot. Bonds8

About 1-(2-ethoxyethyl)-3-(2-hydroxy-3-phenylpropyl)urea

1-(2-ethoxyethyl)-3-(2-hydroxy-3-phenylpropyl)urea (PubChem CID 110937061) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-(2-hydroxy-3-phenylpropyl)urea.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-(2-hydroxy-3-phenylpropyl)urea
PubChem CID110937061
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(2-ethoxyethyl)-3-(2-hydroxy-3-phenylpropyl)urea
SMILESCCOCCNC(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C14H22N2O3/c1-2-19-9-8-15-14(18)16-11-13(17)10-12-6-4-3-5-7-12/h3-7,13,17H,2,8-11H2,1H3,(H2,15,16,18)
InChIKeyGPMLGODMUVADDV-UHFFFAOYSA-N
XLogP0.93
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.93
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-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111102261
1-(2-hydroxy-3-phenylpropyl)-3-(3-methylsulfanylpropyl)urea
CID 111434483
1-(2-tert-butylsulfanylethyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 110937097
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
1-(2-hydroxy-3-phenylpropyl)-3-phenylmethoxyurea
CID 110937017
2-[2-[(2-ethoxyethylcarbamoylamino)methyl]phenyl]acetic acid
CID 81317508
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 110937015
2-[2-ethoxy-4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenoxy]acetic acid
CID 119184092
2-(2-ethoxyethylcarbamoylamino)-2-phenylpropanoic acid
CID 43457126
1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 111118085
2-(2-ethylphenoxy)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111102472
2-(diethylamino)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111102671

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-(2-hydroxy-3-phenylpropyl)urea?
The IUPAC name of 1-(2-ethoxyethyl)-3-(2-hydroxy-3-phenylpropyl)urea (CID 110937061) is 1-(2-ethoxyethyl)-3-(2-hydroxy-3-phenylpropyl)urea.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-(2-hydroxy-3-phenylpropyl)urea?
The canonical SMILES for 1-(2-ethoxyethyl)-3-(2-hydroxy-3-phenylpropyl)urea is CCOCCNC(=O)NCC(O)Cc1ccccc1.
What is the InChIKey of 1-(2-ethoxyethyl)-3-(2-hydroxy-3-phenylpropyl)urea?
The InChIKey is GPMLGODMUVADDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-19-9-8-15-14(18)16-11-13(17)10-12-6-4-3-5-7-12/h3-7,13,17H,2,8-11H2,1H3,(H2,15,16,18).
What are the key properties of 1-(2-ethoxyethyl)-3-(2-hydroxy-3-phenylpropyl)urea?
1-(2-ethoxyethyl)-3-(2-hydroxy-3-phenylpropyl)urea has a molecular weight of 266.34 g/mol, XLogP of 0.93, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-(2-hydroxy-3-phenylpropyl)urea is sourced from PubChem (CID 110937061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).