1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea

C20H24N2O4 — CID 113214699

IUPAC1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
SMILESCOc1ccc(C2(CNC(=O)Nc3ccc(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C20H24N2O4/c1-24-16-7-4-14(5-8-16)20(10-11-20)13-21-19(23)22-15-6-9-17(25-2)18(12-15)26-3/h4-9,12H,10-11,13H2,1-3H3,(H2,21,22,23)
InChIKeyXQIWAUOTWYRRSS-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.57
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea

1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea (PubChem CID 113214699) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
PubChem CID113214699
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
SMILESCOc1ccc(C2(CNC(=O)Nc3ccc(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C20H24N2O4/c1-24-16-7-4-14(5-8-16)20(10-11-20)13-21-19(23)22-15-6-9-17(25-2)18(12-15)26-3/h4-9,12H,10-11,13H2,1-3H3,(H2,21,22,23)
InChIKeyXQIWAUOTWYRRSS-UHFFFAOYSA-N
XLogP3.57
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214739
1-(4-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214748
1-(3-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214747
1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea
CID 75538687
1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
CID 113214568
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 1149690
1-(2,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214737
1-(3,4-dimethoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]guanidine
CID 111081360
1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884279
1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea
CID 113214996
1-(2,3-dichlorophenyl)-3-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]urea
CID 113214892
1-(3,4-dimethoxyphenyl)-3-[(4-methylphenoxy)methyl]urea
CID 108892792

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea (CID 113214699) is 1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea is COc1ccc(C2(CNC(=O)Nc3ccc(OC)c(OC)c3)CC2)cc1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea?
The InChIKey is XQIWAUOTWYRRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-24-16-7-4-14(5-8-16)20(10-11-20)13-21-19(23)22-15-6-9-17(25-2)18(12-15)26-3/h4-9,12H,10-11,13H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea?
1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea has a molecular weight of 356.42 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 113214699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).