1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea

C13H18N2O3 — CID 111116921

IUPAC1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea
SMILESC=CCOc1ccccc1CNC(=O)NCCO
InChIInChI=1S/C13H18N2O3/c1-2-9-18-12-6-4-3-5-11(12)10-15-13(17)14-7-8-16/h2-6,16H,1,7-10H2,(H2,14,15,17)
InChIKeyIFTRMZOEWLVUFX-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.04
Rot. Bonds7

About 1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea

1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea (PubChem CID 111116921) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea
PubChem CID111116921
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea
SMILESC=CCOc1ccccc1CNC(=O)NCCO
InChIInChI=1S/C13H18N2O3/c1-2-9-18-12-6-4-3-5-11(12)10-15-13(17)14-7-8-16/h2-6,16H,1,7-10H2,(H2,14,15,17)
InChIKeyIFTRMZOEWLVUFX-UHFFFAOYSA-N
XLogP1.04
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 7937309
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[(2-prop-2-enoxyphenyl)methyl]urea
CID 71990172
4-[(2-prop-2-enoxyphenyl)methylamino]butanamide
CID 60865208
N,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 54935293
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea
CID 111117251
2-methyl-N-[2-[[N'-methyl-N-[(2-prop-2-enoxyphenyl)methyl]carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111556232
(2-prop-2-enoxyphenyl)methanol
CID 11137475
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
2-[(2-prop-2-enoxyphenyl)methylamino]ethyl carbamate
CID 83211974
2-[(2-prop-2-enoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119184878
N-[(2-prop-2-enoxyphenyl)methyl]piperidine-4-carboxamide
CID 119323072
3-[methyl-[(2-prop-2-enoxyphenyl)methylcarbamoyl]amino]propanoic acid
CID 122001720

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea (CID 111116921) is 1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea is C=CCOc1ccccc1CNC(=O)NCCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea?
The InChIKey is IFTRMZOEWLVUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-9-18-12-6-4-3-5-11(12)10-15-13(17)14-7-8-16/h2-6,16H,1,7-10H2,(H2,14,15,17).
What are the key properties of 1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea?
1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea has a molecular weight of 250.30 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea is sourced from PubChem (CID 111116921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).