1-(cyclopentylidenemethyl)-3-[(2-methoxyphenyl)methyl]urea

C15H20N2O2 — CID 108913694

IUPAC1-(cyclopentylidenemethyl)-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)NC=C1CCCC1
InChIInChI=1S/C15H20N2O2/c1-19-14-9-5-4-8-13(14)11-17-15(18)16-10-12-6-2-3-7-12/h4-5,8-10H,2-3,6-7,11H2,1H3,(H2,16,17,18)
InChIKeyIOFBTXUEOMLPPQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.95
Rot. Bonds4

About 1-(cyclopentylidenemethyl)-3-[(2-methoxyphenyl)methyl]urea

1-(cyclopentylidenemethyl)-3-[(2-methoxyphenyl)methyl]urea (PubChem CID 108913694) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(cyclopentylidenemethyl)-3-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(cyclopentylidenemethyl)-3-[(2-methoxyphenyl)methyl]urea
PubChem CID108913694
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(cyclopentylidenemethyl)-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)NC=C1CCCC1
InChIInChI=1S/C15H20N2O2/c1-19-14-9-5-4-8-13(14)11-17-15(18)16-10-12-6-2-3-7-12/h4-5,8-10H,2-3,6-7,11H2,1H3,(H2,16,17,18)
InChIKeyIOFBTXUEOMLPPQ-UHFFFAOYSA-N
XLogP2.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368
N-[(2-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18189509
N-[(2-methoxyphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 4644139
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
N-[4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]phenyl]acetamide
CID 38206034
1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-methoxyphenyl)methyl]urea
CID 41182201
1-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]urea
CID 51091708
1-N',1-N'-diethyl-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976182
1-[2-(4-chlorophenyl)ethenyl]-3-[(2-methoxyphenyl)methyl]urea
CID 3748194
3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 62669746

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylidenemethyl)-3-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(cyclopentylidenemethyl)-3-[(2-methoxyphenyl)methyl]urea (CID 108913694) is 1-(cyclopentylidenemethyl)-3-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(cyclopentylidenemethyl)-3-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(cyclopentylidenemethyl)-3-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CNC(=O)NC=C1CCCC1.
What is the InChIKey of 1-(cyclopentylidenemethyl)-3-[(2-methoxyphenyl)methyl]urea?
The InChIKey is IOFBTXUEOMLPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-19-14-9-5-4-8-13(14)11-17-15(18)16-10-12-6-2-3-7-12/h4-5,8-10H,2-3,6-7,11H2,1H3,(H2,16,17,18).
What are the key properties of 1-(cyclopentylidenemethyl)-3-[(2-methoxyphenyl)methyl]urea?
1-(cyclopentylidenemethyl)-3-[(2-methoxyphenyl)methyl]urea has a molecular weight of 260.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylidenemethyl)-3-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 108913694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).