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

C14H22N2O3 — CID 111337271

IUPAC1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea
SMILESCCOc1ccccc1CNC(=O)NCCC(C)O
InChIInChI=1S/C14H22N2O3/c1-3-19-13-7-5-4-6-12(13)10-16-14(18)15-9-8-11(2)17/h4-7,11,17H,3,8-10H2,1-2H3,(H2,15,16,18)
InChIKeyIJEWLIZHGMBEBT-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.66
Rot. Bonds7

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

1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea (PubChem CID 111337271) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea
PubChem CID111337271
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea
SMILESCCOc1ccccc1CNC(=O)NCCC(C)O
InChIInChI=1S/C14H22N2O3/c1-3-19-13-7-5-4-6-12(13)10-16-14(18)15-9-8-11(2)17/h4-7,11,17H,3,8-10H2,1-2H3,(H2,15,16,18)
InChIKeyIJEWLIZHGMBEBT-UHFFFAOYSA-N
XLogP1.66
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
CID 47375969
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109389858
1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111337159
1-[(2-ethoxyphenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111338222
1-[(2-ethoxyphenyl)methyl]-3-(pyridin-4-ylmethyl)urea
CID 60569628
1-benzyl-3-(3-hydroxybutyl)urea
CID 103670110
1-[(2-ethylphenyl)methyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111506740
1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 2967945
1-[(2-bromo-3-methylphenyl)methyl]-3-(3-hydroxybutyl)urea
CID 119039519
3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride
CID 119705310
1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336857
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea (CID 111337271) is 1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea is CCOc1ccccc1CNC(=O)NCCC(C)O.
What is the InChIKey of 1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea?
The InChIKey is IJEWLIZHGMBEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-19-13-7-5-4-6-12(13)10-16-14(18)15-9-8-11(2)17/h4-7,11,17H,3,8-10H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea?
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea has a molecular weight of 266.34 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111337271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).