1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea

C18H21ClN2O3 — CID 108883586

IUPAC1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)NCCCOc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O3/c1-23-16-9-4-2-7-14(16)13-21-18(22)20-11-6-12-24-17-10-5-3-8-15(17)19/h2-5,7-10H,6,11-13H2,1H3,(H2,20,21,22)
InChIKeyXJVIEHPSSJYZTC-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.62
Rot. Bonds8

About 1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea

1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea (PubChem CID 108883586) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea
PubChem CID108883586
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)NCCCOc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O3/c1-23-16-9-4-2-7-14(16)13-21-18(22)20-11-6-12-24-17-10-5-3-8-15(17)19/h2-5,7-10H,6,11-13H2,1H3,(H2,20,21,22)
InChIKeyXJVIEHPSSJYZTC-UHFFFAOYSA-N
XLogP3.62
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108897450
1-[(2-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974424
1-[2-(2-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 112970590
1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea
CID 108883382
1-hexyl-3-[(2-methoxyphenyl)methyl]urea
CID 30694177
1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972214
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368
1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975273
1-[3-(2-chlorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea
CID 108883450
1-[3-(2-chlorophenoxy)propyl]-3-(2-cyanoethyl)urea
CID 108883678
1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108897731
tert-butyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108883686

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea (CID 108883586) is 1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CNC(=O)NCCCOc1ccccc1Cl.
What is the InChIKey of 1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea?
The InChIKey is XJVIEHPSSJYZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-23-16-9-4-2-7-14(16)13-21-18(22)20-11-6-12-24-17-10-5-3-8-15(17)19/h2-5,7-10H,6,11-13H2,1H3,(H2,20,21,22).
What are the key properties of 1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea?
1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea has a molecular weight of 348.83 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 108883586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).