1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea

C18H28N2O2 — CID 110445118

IUPAC1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea
SMILESCCN(CC)C(=O)NCC1(c2ccccc2OC)CCCC1
InChIInChI=1S/C18H28N2O2/c1-4-20(5-2)17(21)19-14-18(12-8-9-13-18)15-10-6-7-11-16(15)22-3/h6-7,10-11H,4-5,8-9,12-14H2,1-3H3,(H,19,21)
InChIKeyQLTYBOIBWDVGRC-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.56
Rot. Bonds6

About 1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea

1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea (PubChem CID 110445118) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea
PubChem CID110445118
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea
SMILESCCN(CC)C(=O)NCC1(c2ccccc2OC)CCCC1
InChIInChI=1S/C18H28N2O2/c1-4-20(5-2)17(21)19-14-18(12-8-9-13-18)15-10-6-7-11-16(15)22-3/h6-7,10-11H,4-5,8-9,12-14H2,1-3H3,(H,19,21)
InChIKeyQLTYBOIBWDVGRC-UHFFFAOYSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]propanamide
CID 110441312
methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
CID 110477745
1-cyclobutyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methylurea
CID 84585180
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide
CID 110478355
1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea
CID 110446753
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-N',N'-dipropylpentanediamide
CID 56552338
2-amino-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-methylpentanamide
CID 119747072
2-(2-methoxyphenyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]acetamide
CID 110446469
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 110444850
2-(4-aminophenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119747038
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 138034178
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 60612311

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea?
The IUPAC name of 1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea (CID 110445118) is 1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea?
The canonical SMILES for 1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea is CCN(CC)C(=O)NCC1(c2ccccc2OC)CCCC1.
What is the InChIKey of 1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea?
The InChIKey is QLTYBOIBWDVGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-20(5-2)17(21)19-14-18(12-8-9-13-18)15-10-6-7-11-16(15)22-3/h6-7,10-11H,4-5,8-9,12-14H2,1-3H3,(H,19,21).
What are the key properties of 1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea?
1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea has a molecular weight of 304.43 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea is sourced from PubChem (CID 110445118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).