3-(cyclopentylidenemethyl)-1,1-bis(2-methoxyethyl)urea

C13H24N2O3 — CID 108913648

IUPAC3-(cyclopentylidenemethyl)-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)NC=C1CCCC1
InChIInChI=1S/C13H24N2O3/c1-17-9-7-15(8-10-18-2)13(16)14-11-12-5-3-4-6-12/h11H,3-10H2,1-2H3,(H,14,16)
InChIKeyMUQRYIRCQYJXJT-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.75
Rot. Bonds7

About 3-(cyclopentylidenemethyl)-1,1-bis(2-methoxyethyl)urea

3-(cyclopentylidenemethyl)-1,1-bis(2-methoxyethyl)urea (PubChem CID 108913648) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(cyclopentylidenemethyl)-1,1-bis(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-(cyclopentylidenemethyl)-1,1-bis(2-methoxyethyl)urea
PubChem CID108913648
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-(cyclopentylidenemethyl)-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)NC=C1CCCC1
InChIInChI=1S/C13H24N2O3/c1-17-9-7-15(8-10-18-2)13(16)14-11-12-5-3-4-6-12/h11H,3-10H2,1-2H3,(H,14,16)
InChIKeyMUQRYIRCQYJXJT-UHFFFAOYSA-N
XLogP1.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(cyclopentylidenemethyl)-1,1-bis(2-methoxyethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Cycloheptylidenemethyl)-1-(2-methoxyethyl)-1-propylurea
CID 123272661
1,1-Bis(2-methoxyethyl)-3-(2-methylprop-1-enyl)urea
CID 108909976
3-[(E)-but-1-enyl]-1,1-bis(2-methoxyethyl)urea
CID 108910719
1,1-bis(2-methoxyethyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108911092
3-[(E)-2-cyclopentylethenyl]-1,1-bis(2-methoxyethyl)urea
CID 108911838
1-(Cyclohexylidenemethyl)-3-(2-methoxyethyl)urea
CID 108912409
3-(Cyclohexylidenemethyl)-1,1-bis(2-methoxyethyl)urea
CID 108912584
N-(cyclopentylidenemethyl)-2,6-dimethylmorpholine-4-carboxamide
CID 108913466
1-(Cyclopentylidenemethyl)-3-(2-methoxyethyl)urea
CID 108913473
1-(Cyclopentylidenemethyl)-3-(3-ethoxypropyl)urea
CID 108913475
1-(Cyclopentylidenemethyl)-3-(3-methoxypropyl)urea
CID 108913482
N-(cyclopentylidenemethyl)morpholine-4-carboxamide
CID 108913501

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylidenemethyl)-1,1-bis(2-methoxyethyl)urea?
The IUPAC name of 3-(cyclopentylidenemethyl)-1,1-bis(2-methoxyethyl)urea (CID 108913648) is 3-(cyclopentylidenemethyl)-1,1-bis(2-methoxyethyl)urea.
What is the SMILES notation for 3-(cyclopentylidenemethyl)-1,1-bis(2-methoxyethyl)urea?
The canonical SMILES for 3-(cyclopentylidenemethyl)-1,1-bis(2-methoxyethyl)urea is COCCN(CCOC)C(=O)NC=C1CCCC1.
What is the InChIKey of 3-(cyclopentylidenemethyl)-1,1-bis(2-methoxyethyl)urea?
The InChIKey is MUQRYIRCQYJXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-17-9-7-15(8-10-18-2)13(16)14-11-12-5-3-4-6-12/h11H,3-10H2,1-2H3,(H,14,16).
What are the key properties of 3-(cyclopentylidenemethyl)-1,1-bis(2-methoxyethyl)urea?
3-(cyclopentylidenemethyl)-1,1-bis(2-methoxyethyl)urea has a molecular weight of 256.35 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylidenemethyl)-1,1-bis(2-methoxyethyl)urea is sourced from PubChem (CID 108913648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).