1-[2-(3-chlorophenyl)ethyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea

C20H25ClN2O2 — CID 55570535

IUPAC1-[2-(3-chlorophenyl)ethyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea
SMILESCC(C)OCc1ccccc1CNC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C20H25ClN2O2/c1-15(2)25-14-18-8-4-3-7-17(18)13-23-20(24)22-11-10-16-6-5-9-19(21)12-16/h3-9,12,15H,10-11,13-14H2,1-2H3,(H2,22,23,24)
InChIKeyZOQYWPOUFIMHRL-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.31
Rot. Bonds8

About 1-[2-(3-chlorophenyl)ethyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea

1-[2-(3-chlorophenyl)ethyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea (PubChem CID 55570535) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea
PubChem CID55570535
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea
SMILESCC(C)OCc1ccccc1CNC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C20H25ClN2O2/c1-15(2)25-14-18-8-4-3-7-17(18)13-23-20(24)22-11-10-16-6-5-9-19(21)12-16/h3-9,12,15H,10-11,13-14H2,1-2H3,(H2,22,23,24)
InChIKeyZOQYWPOUFIMHRL-UHFFFAOYSA-N
XLogP4.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-(3-chlorophenyl)ethyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea with MolForge

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
(2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide
CID 51941387
2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119270589
1-[[3-(aminomethyl)phenyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 108901405
N-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide
CID 110416576
N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202005
1-[2-(3-chlorophenyl)ethyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111478872
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea
CID 52569463
2-(2-bromo-4-chlorophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 46585246
2-(3-chlorophenyl)ethylurea
CID 127513466
1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 17380995

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea (CID 55570535) is 1-[2-(3-chlorophenyl)ethyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea is CC(C)OCc1ccccc1CNC(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea?
The InChIKey is ZOQYWPOUFIMHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-15(2)25-14-18-8-4-3-7-17(18)13-23-20(24)22-11-10-16-6-5-9-19(21)12-16/h3-9,12,15H,10-11,13-14H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea?
1-[2-(3-chlorophenyl)ethyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea has a molecular weight of 360.89 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 55570535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).