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

C14H22N2O3 — CID 111336928

IUPAC1-[3-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea
SMILESCCOCc1cccc(NC(=O)NCCC(C)O)c1
InChIInChI=1S/C14H22N2O3/c1-3-19-10-12-5-4-6-13(9-12)16-14(18)15-8-7-11(2)17/h4-6,9,11,17H,3,7-8,10H2,1-2H3,(H2,15,16,18)
InChIKeyNMOBSVOXIUTCDP-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.12
Rot. Bonds7

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

1-[3-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea (PubChem CID 111336928) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[3-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-[3-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea
PubChem CID111336928
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[3-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea
SMILESCCOCc1cccc(NC(=O)NCCC(C)O)c1
InChIInChI=1S/C14H22N2O3/c1-3-19-10-12-5-4-6-13(9-12)16-14(18)15-8-7-11(2)17/h4-6,9,11,17H,3,7-8,10H2,1-2H3,(H2,15,16,18)
InChIKeyNMOBSVOXIUTCDP-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-[3-(ethoxymethyl)phenyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111474442
1-(3-bromophenyl)-3-(3-hydroxybutyl)urea
CID 111336733
1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336885
1-[3-(ethoxymethyl)phenyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110923034
4-[[3-(methoxymethyl)phenyl]carbamoylamino]-2-methylbutanoic acid
CID 80541759
1-(3-hydroxybutyl)-3-[3-(3-methylbutoxy)phenyl]urea
CID 111336903
N-[3-(ethoxymethyl)phenyl]-2-hydroxy-2-phenylacetamide
CID 111432650
N-[3-(ethoxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119768832
1-[3-(2-ethoxyethoxymethyl)phenyl]-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea
CID 75398084
1-(3-hydroxybutyl)-3-naphthalen-2-ylurea
CID 111336742
1-(3-aminobutyl)-3-(3-fluorophenyl)urea
CID 63253702
(2S)-2-amino-N-[3-(ethoxymethyl)phenyl]-3,3-dimethylbutanamide
CID 119768827

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-[3-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea (CID 111336928) is 1-[3-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-[3-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-[3-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea is CCOCc1cccc(NC(=O)NCCC(C)O)c1.
What is the InChIKey of 1-[3-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea?
The InChIKey is NMOBSVOXIUTCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-19-10-12-5-4-6-13(9-12)16-14(18)15-8-7-11(2)17/h4-6,9,11,17H,3,7-8,10H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-[3-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea?
1-[3-(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-[3-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111336928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).