1-cyclobutyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methylurea

C17H24N2O2 — CID 84585180

IUPAC1-cyclobutyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methylurea
SMILESCOc1ccccc1C1(CNC(=O)N(C)C2CCC2)CC1
InChIInChI=1S/C17H24N2O2/c1-19(13-6-5-7-13)16(20)18-12-17(10-11-17)14-8-3-4-9-15(14)21-2/h3-4,8-9,13H,5-7,10-12H2,1-2H3,(H,18,20)
InChIKeyXOUSHCCLSHTLIS-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.92
Rot. Bonds5

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

1-cyclobutyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methylurea (PubChem CID 84585180) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-cyclobutyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methylurea.

Molecular Properties

Compound Name1-cyclobutyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methylurea
PubChem CID84585180
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-cyclobutyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methylurea
SMILESCOc1ccccc1C1(CNC(=O)N(C)C2CCC2)CC1
InChIInChI=1S/C17H24N2O2/c1-19(13-6-5-7-13)16(20)18-12-17(10-11-17)14-8-3-4-9-15(14)21-2/h3-4,8-9,13H,5-7,10-12H2,1-2H3,(H,18,20)
InChIKeyXOUSHCCLSHTLIS-UHFFFAOYSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea
CID 110445118
1-[(2-hydroxycyclopentyl)methyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea
CID 71868395
methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
CID 110477745
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 60612311
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide
CID 110478355
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]propanamide
CID 110441312
3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methyl-1-[(1-methylpyrrol-2-yl)methyl]urea
CID 71969590
(2R)-1-(cyclopropanecarbonyl)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
CID 97211501
1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea
CID 60612371
1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea
CID 110446753
2-(2-methoxyphenyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]acetamide
CID 110446469
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
CID 27449334

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methylurea?
The IUPAC name of 1-cyclobutyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methylurea (CID 84585180) is 1-cyclobutyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methylurea.
What is the SMILES notation for 1-cyclobutyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methylurea?
The canonical SMILES for 1-cyclobutyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methylurea is COc1ccccc1C1(CNC(=O)N(C)C2CCC2)CC1.
What is the InChIKey of 1-cyclobutyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methylurea?
The InChIKey is XOUSHCCLSHTLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-19(13-6-5-7-13)16(20)18-12-17(10-11-17)14-8-3-4-9-15(14)21-2/h3-4,8-9,13H,5-7,10-12H2,1-2H3,(H,18,20).
What are the key properties of 1-cyclobutyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methylurea?
1-cyclobutyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methylurea has a molecular weight of 288.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methylurea is sourced from PubChem (CID 84585180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).