1-[2-(3-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea

C18H21ClN2O4 — CID 112970763

IUPAC1-[2-(3-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCCOc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C18H21ClN2O4/c1-23-16-7-6-13(10-17(16)24-2)12-21-18(22)20-8-9-25-15-5-3-4-14(19)11-15/h3-7,10-11H,8-9,12H2,1-2H3,(H2,20,21,22)
InChIKeyNCJRSLORNBLEQU-UHFFFAOYSA-N
MW364.83 g/mol
LogP3.24
Rot. Bonds8

About 1-[2-(3-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea

1-[2-(3-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea (PubChem CID 112970763) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is 1-[2-(3-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
PubChem CID112970763
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Name1-[2-(3-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCCOc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C18H21ClN2O4/c1-23-16-7-6-13(10-17(16)24-2)12-21-18(22)20-8-9-25-15-5-3-4-14(19)11-15/h3-7,10-11H,8-9,12H2,1-2H3,(H2,20,21,22)
InChIKeyNCJRSLORNBLEQU-UHFFFAOYSA-N
XLogP3.24
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea
CID 38223348
2-(3-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2707667
1-[2-(3-chlorophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 112970737
1-[2-(3-chlorophenoxy)ethyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 86995214
1-[2-(2-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 112970590
1-[2-(3-methoxyphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 38885483
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 108891449
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972393
2-(3,4-dimethoxyphenyl)-N-[2-(3-ethoxyphenoxy)ethyl]acetamide
CID 113100610
1-[2-(2,4-dichlorophenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108989707
[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
CID 8982884
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea?
The IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea (CID 112970763) is 1-[2-(3-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(3-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea?
The canonical SMILES for 1-[2-(3-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea is COc1ccc(CNC(=O)NCCOc2cccc(Cl)c2)cc1OC.
What is the InChIKey of 1-[2-(3-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea?
The InChIKey is NCJRSLORNBLEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-23-16-7-6-13(10-17(16)24-2)12-21-18(22)20-8-9-25-15-5-3-4-14(19)11-15/h3-7,10-11H,8-9,12H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(3-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea?
1-[2-(3-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea has a molecular weight of 364.83 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea is sourced from PubChem (CID 112970763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).