1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea

C18H22N2O3 — CID 51290894

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CCNC(=O)NCc2cccc(OC)c2)cc1
InChIInChI=1S/C18H22N2O3/c1-22-16-8-6-14(7-9-16)10-11-19-18(21)20-13-15-4-3-5-17(12-15)23-2/h3-9,12H,10-11,13H2,1-2H3,(H2,19,20,21)
InChIKeyPHBLHAABDATXDU-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.75
Rot. Bonds7

About 1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea

1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea (PubChem CID 51290894) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
PubChem CID51290894
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CCNC(=O)NCc2cccc(OC)c2)cc1
InChIInChI=1S/C18H22N2O3/c1-22-16-8-6-14(7-9-16)10-11-19-18(21)20-13-15-4-3-5-17(12-15)23-2/h3-9,12H,10-11,13H2,1-2H3,(H2,19,20,21)
InChIKeyPHBLHAABDATXDU-UHFFFAOYSA-N
XLogP2.75
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108898814
1-[(3-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108898465
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 108891449
1-[2-(3-hydroxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 60602886
1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 60591409
1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108867745
1-(2-fluoroethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 59778690
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 117235446
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 86925143
1-[2-(3-bromophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901593
1-(3,3-dimethylbutyl)-3-[(3-methoxyphenyl)methyl]urea
CID 38270007
N-[3-[[2-(4-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 25466004

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea (CID 51290894) is 1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea is COc1ccc(CCNC(=O)NCc2cccc(OC)c2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea?
The InChIKey is PHBLHAABDATXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-22-16-8-6-14(7-9-16)10-11-19-18(21)20-13-15-4-3-5-17(12-15)23-2/h3-9,12H,10-11,13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea?
1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea has a molecular weight of 314.39 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 51290894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).