1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea

C14H22N2O3 — CID 111336885

IUPAC1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea
SMILESCCOCc1ccccc1NC(=O)NCCC(C)O
InChIInChI=1S/C14H22N2O3/c1-3-19-10-12-6-4-5-7-13(12)16-14(18)15-9-8-11(2)17/h4-7,11,17H,3,8-10H2,1-2H3,(H2,15,16,18)
InChIKeyOYBWGUWWZDEFNI-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.12
Rot. Bonds7

About 1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea

1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea (PubChem CID 111336885) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea
PubChem CID111336885
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea
SMILESCCOCc1ccccc1NC(=O)NCCC(C)O
InChIInChI=1S/C14H22N2O3/c1-3-19-10-12-6-4-5-7-13(12)16-14(18)15-9-8-11(2)17/h4-7,11,17H,3,8-10H2,1-2H3,(H2,15,16,18)
InChIKeyOYBWGUWWZDEFNI-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(ethoxymethyl)phenyl]-3-hexylurea
CID 60562677
1-[2-(ethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111431488
1-[2-(ethoxymethyl)phenyl]-3-(5-methoxypentyl)urea
CID 86871424
N-[2-(ethoxymethyl)phenyl]-2-methoxypropanamide
CID 112686280
1-[3-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336928
3-[2-(ethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111754728
1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea
CID 111336974
1-(3-hydroxybutyl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea
CID 111412090
6-amino-N-[2-(ethoxymethyl)phenyl]-2-methylheptanamide
CID 65290260
1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(3-hydroxybutyl)urea
CID 111336789
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337271
1-[2-(ethoxymethyl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437639

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea (CID 111336885) is 1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea is CCOCc1ccccc1NC(=O)NCCC(C)O.
What is the InChIKey of 1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea?
The InChIKey is OYBWGUWWZDEFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-19-10-12-6-4-5-7-13(12)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-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea?
1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea has a molecular weight of 266.34 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111336885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).