1-[(3-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea

C12H18N2O3 — CID 110894196

IUPAC1-[(3-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
SMILESCCOc1cccc(CNC(=O)NCCO)c1
InChIInChI=1S/C12H18N2O3/c1-2-17-11-5-3-4-10(8-11)9-14-12(16)13-6-7-15/h3-5,8,15H,2,6-7,9H2,1H3,(H2,13,14,16)
InChIKeyMSMWUFSEYIQUJH-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.88
Rot. Bonds6

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

1-[(3-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea (PubChem CID 110894196) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[(3-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[(3-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
PubChem CID110894196
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-[(3-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
SMILESCCOc1cccc(CNC(=O)NCCO)c1
InChIInChI=1S/C12H18N2O3/c1-2-17-11-5-3-4-10(8-11)9-14-12(16)13-6-7-15/h3-5,8,15H,2,6-7,9H2,1H3,(H2,13,14,16)
InChIKeyMSMWUFSEYIQUJH-UHFFFAOYSA-N
XLogP0.88
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 108884480
N-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide
CID 79191557
2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17295669
3-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 60872199
1-(2-chlorophenyl)-3-[(3-ethoxyphenyl)methyl]urea
CID 51046185
N-[(3-ethoxyphenyl)methylcarbamoyl]-2-hydroxybenzamide
CID 142955511
1-[(3-ethoxyphenyl)methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110893418
N-[(3-ethoxyphenyl)methyl]but-2-enamide
CID 112728923
1-[(3-bromophenyl)methyl]-3-[(4-ethoxyphenyl)methyl]urea
CID 108884600
1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-[(3-ethoxyphenyl)methyl]urea
CID 55742781
6-[(3-ethoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 75513273
N-[(3-ethoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119714458

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[(3-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea (CID 110894196) is 1-[(3-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[(3-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[(3-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea is CCOc1cccc(CNC(=O)NCCO)c1.
What is the InChIKey of 1-[(3-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea?
The InChIKey is MSMWUFSEYIQUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-17-11-5-3-4-10(8-11)9-14-12(16)13-6-7-15/h3-5,8,15H,2,6-7,9H2,1H3,(H2,13,14,16).
What are the key properties of 1-[(3-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea?
1-[(3-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea has a molecular weight of 238.29 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 110894196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).