3-(cycloheptylidenemethyl)-1-(2-methoxyethyl)-1-propylurea

C15H28N2O2 — CID 123272661

IUPAC3-(cycloheptylidenemethyl)-1-(2-methoxyethyl)-1-propylurea
SMILESCCCN(CCOC)C(=O)NC=C1CCCCCC1
InChIInChI=1S/C15H28N2O2/c1-3-10-17(11-12-19-2)15(18)16-13-14-8-6-4-5-7-9-14/h13H,3-12H2,1-2H3,(H,16,18)
InChIKeyVURJYCSLFWBYGB-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.29
Rot. Bonds6

About 3-(cycloheptylidenemethyl)-1-(2-methoxyethyl)-1-propylurea

3-(cycloheptylidenemethyl)-1-(2-methoxyethyl)-1-propylurea (PubChem CID 123272661) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-(cycloheptylidenemethyl)-1-(2-methoxyethyl)-1-propylurea.

Molecular Properties

Compound Name3-(cycloheptylidenemethyl)-1-(2-methoxyethyl)-1-propylurea
PubChem CID123272661
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-(cycloheptylidenemethyl)-1-(2-methoxyethyl)-1-propylurea
SMILESCCCN(CCOC)C(=O)NC=C1CCCCCC1
InChIInChI=1S/C15H28N2O2/c1-3-10-17(11-12-19-2)15(18)16-13-14-8-6-4-5-7-9-14/h13H,3-12H2,1-2H3,(H,16,18)
InChIKeyVURJYCSLFWBYGB-UHFFFAOYSA-N
XLogP3.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-Bis(2-methoxyethyl)-3-(2-methylprop-1-enyl)urea
CID 108909976
1-(Cyclohexylidenemethyl)-3-(2-methoxyethyl)urea
CID 108912409
3-(Cyclohexylidenemethyl)-1,1-bis(2-methoxyethyl)urea
CID 108912584
3-(Cyclopentylidenemethyl)-1,1-bis(2-methoxyethyl)urea
CID 108913648
3-[(E)-2-cyclopentylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea
CID 108914021
1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea
CID 108914394
3-[(E)-2,3-dimethylbut-1-enyl]-1,1-bis(2-methoxyethyl)urea
CID 108914767
3-[(E)-2-cyclopropylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea
CID 108915513

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylidenemethyl)-1-(2-methoxyethyl)-1-propylurea?
The IUPAC name of 3-(cycloheptylidenemethyl)-1-(2-methoxyethyl)-1-propylurea (CID 123272661) is 3-(cycloheptylidenemethyl)-1-(2-methoxyethyl)-1-propylurea.
What is the SMILES notation for 3-(cycloheptylidenemethyl)-1-(2-methoxyethyl)-1-propylurea?
The canonical SMILES for 3-(cycloheptylidenemethyl)-1-(2-methoxyethyl)-1-propylurea is CCCN(CCOC)C(=O)NC=C1CCCCCC1.
What is the InChIKey of 3-(cycloheptylidenemethyl)-1-(2-methoxyethyl)-1-propylurea?
The InChIKey is VURJYCSLFWBYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-10-17(11-12-19-2)15(18)16-13-14-8-6-4-5-7-9-14/h13H,3-12H2,1-2H3,(H,16,18).
What are the key properties of 3-(cycloheptylidenemethyl)-1-(2-methoxyethyl)-1-propylurea?
3-(cycloheptylidenemethyl)-1-(2-methoxyethyl)-1-propylurea has a molecular weight of 268.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylidenemethyl)-1-(2-methoxyethyl)-1-propylurea is sourced from PubChem (CID 123272661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).