1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea

C19H22N2O2 — CID 110446753

IUPAC1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea
SMILESCOc1ccccc1C1(CNC(=O)Nc2ccccc2)CCC1
InChIInChI=1S/C19H22N2O2/c1-23-17-11-6-5-10-16(17)19(12-7-13-19)14-20-18(22)21-15-8-3-2-4-9-15/h2-6,8-11H,7,12-14H2,1H3,(H2,20,21,22)
InChIKeyUFTKIHYGSSCQRS-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.94
Rot. Bonds5

About 1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea

1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea (PubChem CID 110446753) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea
PubChem CID110446753
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea
SMILESCOc1ccccc1C1(CNC(=O)Nc2ccccc2)CCC1
InChIInChI=1S/C19H22N2O2/c1-23-17-11-6-5-10-16(17)19(12-7-13-19)14-20-18(22)21-15-8-3-2-4-9-15/h2-6,8-11H,7,12-14H2,1H3,(H2,20,21,22)
InChIKeyUFTKIHYGSSCQRS-UHFFFAOYSA-N
XLogP3.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclobutyl]methyl]urea
CID 110446818
1-(4-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea
CID 110446815
1-(3-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclobutyl]methyl]urea
CID 110441168
methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
CID 110477745
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide
CID 110478355
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]propanamide
CID 110441312
2-(2-methoxyphenyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]acetamide
CID 110446469
2-fluoro-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]benzamide
CID 110444105
1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea
CID 110445118
1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea
CID 60612371
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 60612311
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 110444850

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea?
The IUPAC name of 1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea (CID 110446753) is 1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea?
The canonical SMILES for 1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea is COc1ccccc1C1(CNC(=O)Nc2ccccc2)CCC1.
What is the InChIKey of 1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea?
The InChIKey is UFTKIHYGSSCQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-17-11-6-5-10-16(17)19(12-7-13-19)14-20-18(22)21-15-8-3-2-4-9-15/h2-6,8-11H,7,12-14H2,1H3,(H2,20,21,22).
What are the key properties of 1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea?
1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea has a molecular weight of 310.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea is sourced from PubChem (CID 110446753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).