1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea

C20H24N2O3 — CID 113214996

IUPAC1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea
SMILESCOc1ccc(NC(=O)NCC2(c3ccccc3)CCC2)c(OC)c1
InChIInChI=1S/C20H24N2O3/c1-24-16-9-10-17(18(13-16)25-2)22-19(23)21-14-20(11-6-12-20)15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H2,21,22,23)
InChIKeyNWYYJHVDYIYTAJ-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.95
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea

1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea (PubChem CID 113214996) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea
PubChem CID113214996
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea
SMILESCOc1ccc(NC(=O)NCC2(c3ccccc3)CCC2)c(OC)c1
InChIInChI=1S/C20H24N2O3/c1-24-16-9-10-17(18(13-16)25-2)22-19(23)21-14-20(11-6-12-20)15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H2,21,22,23)
InChIKeyNWYYJHVDYIYTAJ-UHFFFAOYSA-N
XLogP3.95
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2-nitrophenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 31075821
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213943
1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1-phenylcyclopentyl)methyl]urea
CID 78882665
1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea
CID 108883150
1-[(1-phenylcyclobutyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 113214970
2-(4-methoxyphenyl)-2-methyl-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110437831
1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 81167421
1-(2,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214737
1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 90499727
1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea
CID 110446753
1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214699
1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea
CID 108895113

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea (CID 113214996) is 1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea is COc1ccc(NC(=O)NCC2(c3ccccc3)CCC2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea?
The InChIKey is NWYYJHVDYIYTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-16-9-10-17(18(13-16)25-2)22-19(23)21-14-20(11-6-12-20)15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea?
1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea has a molecular weight of 340.42 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea is sourced from PubChem (CID 113214996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).