3-[2-(4-chlorophenyl)ethyl]-1,1-bis(2-methoxyethyl)urea

C15H23ClN2O3 — CID 108891943

IUPAC3-[2-(4-chlorophenyl)ethyl]-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O3/c1-20-11-9-18(10-12-21-2)15(19)17-8-7-13-3-5-14(16)6-4-13/h3-6H,7-12H2,1-2H3,(H,17,19)
InChIKeySXDOECJEFXIZEW-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.19
Rot. Bonds9

About 3-[2-(4-chlorophenyl)ethyl]-1,1-bis(2-methoxyethyl)urea

3-[2-(4-chlorophenyl)ethyl]-1,1-bis(2-methoxyethyl)urea (PubChem CID 108891943) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)ethyl]-1,1-bis(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)ethyl]-1,1-bis(2-methoxyethyl)urea
PubChem CID108891943
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name3-[2-(4-chlorophenyl)ethyl]-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O3/c1-20-11-9-18(10-12-21-2)15(19)17-8-7-13-3-5-14(16)6-4-13/h3-6H,7-12H2,1-2H3,(H,17,19)
InChIKeySXDOECJEFXIZEW-UHFFFAOYSA-N
XLogP2.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47133600
1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)thiourea
CID 8669388
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide
CID 17139039
3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 115608745
2-[bis(2-methoxyethyl)carbamoylamino]acetic acid;2,4-dichloro-1-methylbenzene
CID 143745404
2-[8-[5-[bis(2-methoxyethyl)carbamoyl]-6-[2-(4-chlorophenyl)ethylcarbamoyl]-1,3-dihydroisoindol-2-yl]-8-oxooctanoyl]-5-N-[2-(4-chlorophenyl)ethyl]-6-N,6-N-bis(2-methoxyethyl)-1,3-dihydroisoindole-5,6-dicarboxamide
CID 10931143
3-[(4-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea
CID 44756384
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103432
N-[2-(4-chlorophenyl)ethyl]-N'-(cyanomethyl)oxamide
CID 61380619
1-[2-(2-chlorophenoxy)ethyl]-3-[2-(4-chlorophenyl)ethyl]-1-methylurea
CID 27532112
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
N'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide
CID 125144861

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)ethyl]-1,1-bis(2-methoxyethyl)urea?
The IUPAC name of 3-[2-(4-chlorophenyl)ethyl]-1,1-bis(2-methoxyethyl)urea (CID 108891943) is 3-[2-(4-chlorophenyl)ethyl]-1,1-bis(2-methoxyethyl)urea.
What is the SMILES notation for 3-[2-(4-chlorophenyl)ethyl]-1,1-bis(2-methoxyethyl)urea?
The canonical SMILES for 3-[2-(4-chlorophenyl)ethyl]-1,1-bis(2-methoxyethyl)urea is COCCN(CCOC)C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)ethyl]-1,1-bis(2-methoxyethyl)urea?
The InChIKey is SXDOECJEFXIZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-20-11-9-18(10-12-21-2)15(19)17-8-7-13-3-5-14(16)6-4-13/h3-6H,7-12H2,1-2H3,(H,17,19).
What are the key properties of 3-[2-(4-chlorophenyl)ethyl]-1,1-bis(2-methoxyethyl)urea?
3-[2-(4-chlorophenyl)ethyl]-1,1-bis(2-methoxyethyl)urea has a molecular weight of 314.81 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)ethyl]-1,1-bis(2-methoxyethyl)urea is sourced from PubChem (CID 108891943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).