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

C21H27ClN2O3 — CID 108891954

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
SMILESCCOc1ccc(CCNC(=O)NCCc2ccc(Cl)cc2)cc1OCC
InChIInChI=1S/C21H27ClN2O3/c1-3-26-19-10-7-17(15-20(19)27-4-2)12-14-24-21(25)23-13-11-16-5-8-18(22)9-6-16/h5-10,15H,3-4,11-14H2,1-2H3,(H2,23,24,25)
InChIKeyVZTCZIYVDKSTFK-UHFFFAOYSA-N
MW390.91 g/mol
LogP4.22
Rot. Bonds10

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

1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea (PubChem CID 108891954) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
PubChem CID108891954
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
SMILESCCOc1ccc(CCNC(=O)NCCc2ccc(Cl)cc2)cc1OCC
InChIInChI=1S/C21H27ClN2O3/c1-3-26-19-10-7-17(15-20(19)27-4-2)12-14-24-21(25)23-13-11-16-5-8-18(22)9-6-16/h5-10,15H,3-4,11-14H2,1-2H3,(H2,23,24,25)
InChIKeyVZTCZIYVDKSTFK-UHFFFAOYSA-N
XLogP4.22
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 16574764
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
1-[2-(4-chlorophenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877443
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea
CID 108893630
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561758
1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea
CID 108909248
2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 43244618
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108878076
2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
CID 40903482
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
1-(3-chloropropyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891565

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea (CID 108891954) is 1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea is CCOc1ccc(CCNC(=O)NCCc2ccc(Cl)cc2)cc1OCC.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea?
The InChIKey is VZTCZIYVDKSTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3/c1-3-26-19-10-7-17(15-20(19)27-4-2)12-14-24-21(25)23-13-11-16-5-8-18(22)9-6-16/h5-10,15H,3-4,11-14H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea?
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea has a molecular weight of 390.91 g/mol, XLogP of 4.22, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea is sourced from PubChem (CID 108891954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).