1-(3-ethoxypropyl)-3-(oxan-4-ylidenemethyl)urea

C12H22N2O3 — CID 108913102

IUPAC1-(3-ethoxypropyl)-3-(oxan-4-ylidenemethyl)urea
SMILESCCOCCCNC(=O)NC=C1CCOCC1
InChIInChI=1S/C12H22N2O3/c1-2-16-7-3-6-13-12(15)14-10-11-4-8-17-9-5-11/h10H,2-9H2,1H3,(H2,13,14,15)
InChIKeySGVRJHUQJPMPJO-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.41
Rot. Bonds6

About 1-(3-ethoxypropyl)-3-(oxan-4-ylidenemethyl)urea

1-(3-ethoxypropyl)-3-(oxan-4-ylidenemethyl)urea (PubChem CID 108913102) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-(oxan-4-ylidenemethyl)urea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-(oxan-4-ylidenemethyl)urea
PubChem CID108913102
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(3-ethoxypropyl)-3-(oxan-4-ylidenemethyl)urea
SMILESCCOCCCNC(=O)NC=C1CCOCC1
InChIInChI=1S/C12H22N2O3/c1-2-16-7-3-6-13-12(15)14-10-11-4-8-17-9-5-11/h10H,2-9H2,1H3,(H2,13,14,15)
InChIKeySGVRJHUQJPMPJO-UHFFFAOYSA-N
XLogP1.41
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-Ethoxypropyl)-3-(2-methylprop-1-enyl)urea
CID 108909804
1-(3-Butoxypropyl)-3-(2-methylprop-1-enyl)urea
CID 108909812
1-(Cyclohexylidenemethyl)-3-(3-ethoxypropyl)urea
CID 108912411
1-(Cyclohexylidenemethyl)-3-(3-methoxypropyl)urea
CID 108912418
1-(3-Butoxypropyl)-3-(cyclohexylidenemethyl)urea
CID 108912419
1-(Cyclohexylidenemethyl)-3-(3-propan-2-yloxypropyl)urea
CID 108912550
1-(Oxan-4-ylidenemethyl)-3-propylurea
CID 108913065
1-(Oxan-4-ylidenemethyl)-3-propan-2-ylurea
CID 108913090
1-Cyclohexyl-3-(oxan-4-ylidenemethyl)urea
CID 108913095
1-(2-Methylpropyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913099
1-(2-Methoxyethyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913100
1-Butyl-3-(oxan-4-ylidenemethyl)urea
CID 108913101

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-(oxan-4-ylidenemethyl)urea?
The IUPAC name of 1-(3-ethoxypropyl)-3-(oxan-4-ylidenemethyl)urea (CID 108913102) is 1-(3-ethoxypropyl)-3-(oxan-4-ylidenemethyl)urea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-(oxan-4-ylidenemethyl)urea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-(oxan-4-ylidenemethyl)urea is CCOCCCNC(=O)NC=C1CCOCC1.
What is the InChIKey of 1-(3-ethoxypropyl)-3-(oxan-4-ylidenemethyl)urea?
The InChIKey is SGVRJHUQJPMPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-16-7-3-6-13-12(15)14-10-11-4-8-17-9-5-11/h10H,2-9H2,1H3,(H2,13,14,15).
What are the key properties of 1-(3-ethoxypropyl)-3-(oxan-4-ylidenemethyl)urea?
1-(3-ethoxypropyl)-3-(oxan-4-ylidenemethyl)urea has a molecular weight of 242.32 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-(oxan-4-ylidenemethyl)urea is sourced from PubChem (CID 108913102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).