1-[2-(ethoxymethyl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea

C15H22N2O3 — CID 111437639

IUPAC1-[2-(ethoxymethyl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCCOCc1ccccc1NC(=O)NCC1(O)CCC1
InChIInChI=1S/C15H22N2O3/c1-2-20-10-12-6-3-4-7-13(12)17-14(18)16-11-15(19)8-5-9-15/h3-4,6-7,19H,2,5,8-11H2,1H3,(H2,16,17,18)
InChIKeyWZVNNMNDESNQAV-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.26
Rot. Bonds6

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

1-[2-(ethoxymethyl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea (PubChem CID 111437639) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[2-(ethoxymethyl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(ethoxymethyl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
PubChem CID111437639
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[2-(ethoxymethyl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCCOCc1ccccc1NC(=O)NCC1(O)CCC1
InChIInChI=1S/C15H22N2O3/c1-2-20-10-12-6-3-4-7-13(12)17-14(18)16-11-15(19)8-5-9-15/h3-4,6-7,19H,2,5,8-11H2,1H3,(H2,16,17,18)
InChIKeyWZVNNMNDESNQAV-UHFFFAOYSA-N
XLogP2.26
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-hydroxycyclobutyl)methyl]-3-[[2-(propoxymethyl)phenyl]methyl]urea
CID 111438310
2-(1-aminocyclobutyl)-N-[2-(ethoxymethyl)phenyl]acetamide
CID 79851029
1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619728
1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437655
1-[2-(ethoxymethyl)phenyl]-3-hexylurea
CID 60562677
1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea
CID 111103515
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea
CID 111475461
1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336885
1-[2-(ethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111431488
1-[2-[benzyl(methyl)amino]phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437683
1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103677
1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111521389

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethoxymethyl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The IUPAC name of 1-[2-(ethoxymethyl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea (CID 111437639) is 1-[2-(ethoxymethyl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-[2-(ethoxymethyl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The canonical SMILES for 1-[2-(ethoxymethyl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea is CCOCc1ccccc1NC(=O)NCC1(O)CCC1.
What is the InChIKey of 1-[2-(ethoxymethyl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The InChIKey is WZVNNMNDESNQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-20-10-12-6-3-4-7-13(12)17-14(18)16-11-15(19)8-5-9-15/h3-4,6-7,19H,2,5,8-11H2,1H3,(H2,16,17,18).
What are the key properties of 1-[2-(ethoxymethyl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
1-[2-(ethoxymethyl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea has a molecular weight of 278.35 g/mol, XLogP of 2.26, 6 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-[(1-hydroxycyclobutyl)methyl]urea is sourced from PubChem (CID 111437639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).