1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea

C18H24N2O3S — CID 111440852

IUPAC1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
SMILESCCOCc1ccccc1CNC(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C18H24N2O3S/c1-3-23-12-15-8-5-4-7-14(15)11-19-17(21)20-13-18(2,22)16-9-6-10-24-16/h4-10,22H,3,11-13H2,1-2H3,(H2,19,20,21)
InChIKeyUIXWSUZIXHFONH-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.99
Rot. Bonds8

About 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea

1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea (PubChem CID 111440852) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea.

Molecular Properties

Compound Name1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
PubChem CID111440852
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
SMILESCCOCc1ccccc1CNC(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C18H24N2O3S/c1-3-23-12-15-8-5-4-7-14(15)11-19-17(21)20-13-18(2,22)16-9-6-10-24-16/h4-10,22H,3,11-13H2,1-2H3,(H2,19,20,21)
InChIKeyUIXWSUZIXHFONH-UHFFFAOYSA-N
XLogP2.99
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443503
2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylpropanamide
CID 61266399
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 96548923
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 111443995
3-(2-hydroxyphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)propanamide
CID 111442061
1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-[[2-(propoxymethyl)phenyl]methyl]guanidine
CID 109419624
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-thiophen-2-ylethyl)urea
CID 111440752
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide
CID 121085799
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111440845
N-[[2-(ethoxymethyl)phenyl]methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 43062586

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
The IUPAC name of 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea (CID 111440852) is 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea.
What is the SMILES notation for 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
The canonical SMILES for 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea is CCOCc1ccccc1CNC(=O)NCC(C)(O)c1cccs1.
What is the InChIKey of 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
The InChIKey is UIXWSUZIXHFONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-3-23-12-15-8-5-4-7-14(15)11-19-17(21)20-13-18(2,22)16-9-6-10-24-16/h4-10,22H,3,11-13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea has a molecular weight of 348.47 g/mol, XLogP of 2.99, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea is sourced from PubChem (CID 111440852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).