1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea

C16H22N2O2 — CID 108913488

IUPAC1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NC=C2CCCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-20-15-8-6-13(7-9-15)10-11-17-16(19)18-12-14-4-2-3-5-14/h6-9,12H,2-5,10-11H2,1H3,(H2,17,18,19)
InChIKeyILNBURBNTUQDEL-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.99
Rot. Bonds5

About 1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea

1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 108913488) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID108913488
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NC=C2CCCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-20-15-8-6-13(7-9-15)10-11-17-16(19)18-12-14-4-2-3-5-14/h6-9,12H,2-5,10-11H2,1H3,(H2,17,18,19)
InChIKeyILNBURBNTUQDEL-UHFFFAOYSA-N
XLogP2.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea
CID 108913115
1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea
CID 108912711
1-[2-(4-chlorophenyl)ethyl]-3-(cyclohexylidenemethyl)urea
CID 108912710
1-[(E)-2-cyclopentylethenyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108911678
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 110936434
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910187
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108907884
1-N,1-N'-bis[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977727
1-[2-(4-methoxyphenyl)ethyl]-3-octadecylurea
CID 139817703
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
1-(2-cyanoethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108902041

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea (CID 108913488) is 1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)NC=C2CCCC2)cc1.
What is the InChIKey of 1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is ILNBURBNTUQDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-15-8-6-13(7-9-15)10-11-17-16(19)18-12-14-4-2-3-5-14/h6-9,12H,2-5,10-11H2,1H3,(H2,17,18,19).
What are the key properties of 1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 274.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 108913488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).