1-[2-(2-hydroxyethoxy)ethyl]-3-[2-(2-methylphenyl)ethyl]urea

C14H22N2O3 — CID 108899714

IUPAC1-[2-(2-hydroxyethoxy)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1CCNC(=O)NCCOCCO
InChIInChI=1S/C14H22N2O3/c1-12-4-2-3-5-13(12)6-7-15-14(18)16-8-10-19-11-9-17/h2-5,17H,6-11H2,1H3,(H2,15,16,18)
InChIKeyPRBYWHHOGCNCTG-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.85
Rot. Bonds8

About 1-[2-(2-hydroxyethoxy)ethyl]-3-[2-(2-methylphenyl)ethyl]urea

1-[2-(2-hydroxyethoxy)ethyl]-3-[2-(2-methylphenyl)ethyl]urea (PubChem CID 108899714) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]-3-[2-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
PubChem CID108899714
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1CCNC(=O)NCCOCCO
InChIInChI=1S/C14H22N2O3/c1-12-4-2-3-5-13(12)6-7-15-14(18)16-8-10-19-11-9-17/h2-5,17H,6-11H2,1H3,(H2,15,16,18)
InChIKeyPRBYWHHOGCNCTG-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
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-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108900299
1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 38155486
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
2-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]acetamide
CID 110678201
1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea
CID 47373399
N-[2-(2-hydroxyethoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 60654502
3-chloro-N-[2-(2-methylphenyl)ethylcarbamoyl]propanamide
CID 79755444
methyl 4-[2-(2-methylphenyl)ethylcarbamoylamino]benzoate
CID 108899743
1-[2-(2-hydroxyethoxy)ethyl]-3-(phenoxymethyl)urea
CID 108888910
3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79762696
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 60595877
1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52590743

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3-[2-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3-[2-(2-methylphenyl)ethyl]urea (CID 108899714) is 1-[2-(2-hydroxyethoxy)ethyl]-3-[2-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]-3-[2-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]-3-[2-(2-methylphenyl)ethyl]urea is Cc1ccccc1CCNC(=O)NCCOCCO.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]-3-[2-(2-methylphenyl)ethyl]urea?
The InChIKey is PRBYWHHOGCNCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-12-4-2-3-5-13(12)6-7-15-14(18)16-8-10-19-11-9-17/h2-5,17H,6-11H2,1H3,(H2,15,16,18).
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]-3-[2-(2-methylphenyl)ethyl]urea?
1-[2-(2-hydroxyethoxy)ethyl]-3-[2-(2-methylphenyl)ethyl]urea has a molecular weight of 266.34 g/mol, XLogP of 0.85, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethyl]-3-[2-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 108899714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).