3-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea

C17H25ClN2O3 — CID 111105530

IUPAC3-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)NCC1(c2ccccc2Cl)CCOCC1
InChIInChI=1S/C17H25ClN2O3/c1-2-20(9-10-21)16(22)19-13-17(7-11-23-12-8-17)14-5-3-4-6-15(14)18/h3-6,21H,2,7-13H2,1H3,(H,19,22)
InChIKeyBNFGFOSBDRGCBB-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.41
Rot. Bonds6

About 3-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea

3-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 111105530) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 3-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID111105530
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name3-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)NCC1(c2ccccc2Cl)CCOCC1
InChIInChI=1S/C17H25ClN2O3/c1-2-20(9-10-21)16(22)19-13-17(7-11-23-12-8-17)14-5-3-4-6-15(14)18/h3-6,21H,2,7-13H2,1H3,(H,19,22)
InChIKeyBNFGFOSBDRGCBB-UHFFFAOYSA-N
XLogP2.41
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 119320209
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119320200
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119777736
3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride
CID 119777768
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride
CID 120989233
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 138998224
ethyl (2R)-2-[[4-(2-chlorophenyl)oxan-4-yl]methylamino]propanoate
CID 96549803
2-(aminomethyl)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 119777761
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120792510
1-benzyl-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)urea
CID 111435263
(2S)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95348749
(2R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95348750

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea (CID 111105530) is 3-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea is CCN(CCO)C(=O)NCC1(c2ccccc2Cl)CCOCC1.
What is the InChIKey of 3-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is BNFGFOSBDRGCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-2-20(9-10-21)16(22)19-13-17(7-11-23-12-8-17)14-5-3-4-6-15(14)18/h3-6,21H,2,7-13H2,1H3,(H,19,22).
What are the key properties of 3-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea?
3-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 340.85 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 111105530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).