1-[1-(3-chlorophenyl)ethyl]-3-[[2-(ethoxymethyl)phenyl]methyl]-1-methylurea

C20H25ClN2O2 — CID 55909962

IUPAC1-[1-(3-chlorophenyl)ethyl]-3-[[2-(ethoxymethyl)phenyl]methyl]-1-methylurea
SMILESCCOCc1ccccc1CNC(=O)N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C20H25ClN2O2/c1-4-25-14-18-9-6-5-8-17(18)13-22-20(24)23(3)15(2)16-10-7-11-19(21)12-16/h5-12,15H,4,13-14H2,1-3H3,(H,22,24)
InChIKeyAVLKUJUEUWPKOK-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.78
Rot. Bonds7

About 1-[1-(3-chlorophenyl)ethyl]-3-[[2-(ethoxymethyl)phenyl]methyl]-1-methylurea

1-[1-(3-chlorophenyl)ethyl]-3-[[2-(ethoxymethyl)phenyl]methyl]-1-methylurea (PubChem CID 55909962) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethyl]-3-[[2-(ethoxymethyl)phenyl]methyl]-1-methylurea.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethyl]-3-[[2-(ethoxymethyl)phenyl]methyl]-1-methylurea
PubChem CID55909962
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name1-[1-(3-chlorophenyl)ethyl]-3-[[2-(ethoxymethyl)phenyl]methyl]-1-methylurea
SMILESCCOCc1ccccc1CNC(=O)N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C20H25ClN2O2/c1-4-25-14-18-9-6-5-8-17(18)13-22-20(24)23(3)15(2)16-10-7-11-19(21)12-16/h5-12,15H,4,13-14H2,1-3H3,(H,22,24)
InChIKeyAVLKUJUEUWPKOK-UHFFFAOYSA-N
XLogP4.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 55599193
1-[1-(4-fluorophenyl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-1-methylurea
CID 134006438
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]-2-oxoacetate
CID 62979257
1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea
CID 86914055
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate
CID 62979536
2-(diethylamino)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-phenylacetamide
CID 56540663
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119286563
3-(2-aminophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylpropanamide
CID 120608860
(2S)-2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]amino]pentanoic acid
CID 107566911
1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1-methylurea
CID 47306886
1-benzhydryl-3-[[2-(ethoxymethyl)phenyl]methyl]urea
CID 35629147
3-[[2-(ethoxymethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 35628426

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-3-[[2-(ethoxymethyl)phenyl]methyl]-1-methylurea?
The IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-3-[[2-(ethoxymethyl)phenyl]methyl]-1-methylurea (CID 55909962) is 1-[1-(3-chlorophenyl)ethyl]-3-[[2-(ethoxymethyl)phenyl]methyl]-1-methylurea.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethyl]-3-[[2-(ethoxymethyl)phenyl]methyl]-1-methylurea?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethyl]-3-[[2-(ethoxymethyl)phenyl]methyl]-1-methylurea is CCOCc1ccccc1CNC(=O)N(C)C(C)c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethyl]-3-[[2-(ethoxymethyl)phenyl]methyl]-1-methylurea?
The InChIKey is AVLKUJUEUWPKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-4-25-14-18-9-6-5-8-17(18)13-22-20(24)23(3)15(2)16-10-7-11-19(21)12-16/h5-12,15H,4,13-14H2,1-3H3,(H,22,24).
What are the key properties of 1-[1-(3-chlorophenyl)ethyl]-3-[[2-(ethoxymethyl)phenyl]methyl]-1-methylurea?
1-[1-(3-chlorophenyl)ethyl]-3-[[2-(ethoxymethyl)phenyl]methyl]-1-methylurea has a molecular weight of 360.89 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethyl]-3-[[2-(ethoxymethyl)phenyl]methyl]-1-methylurea is sourced from PubChem (CID 55909962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).