1-methyl-1,3-bis(oxan-2-yloxy)urea

C12H22N2O5 — CID 19371750

IUPAC1-methyl-1,3-bis(oxan-2-yloxy)urea
SMILESCN(OC1CCCCO1)C(=O)NOC1CCCCO1
InChIInChI=1S/C12H22N2O5/c1-14(19-11-7-3-5-9-17-11)12(15)13-18-10-6-2-4-8-16-10/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyFOIUZSIGFCRJEN-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.54
Rot. Bonds4

About 1-methyl-1,3-bis(oxan-2-yloxy)urea

1-methyl-1,3-bis(oxan-2-yloxy)urea (PubChem CID 19371750) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-methyl-1,3-bis(oxan-2-yloxy)urea.

Molecular Properties

Compound Name1-methyl-1,3-bis(oxan-2-yloxy)urea
PubChem CID19371750
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name1-methyl-1,3-bis(oxan-2-yloxy)urea
SMILESCN(OC1CCCCO1)C(=O)NOC1CCCCO1
InChIInChI=1S/C12H22N2O5/c1-14(19-11-7-3-5-9-17-11)12(15)13-18-10-6-2-4-8-16-10/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyFOIUZSIGFCRJEN-UHFFFAOYSA-N
XLogP1.54
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(oxan-2-yloxy)cyclopropanecarboxamide
CID 130685295
tert-butyl N-(oxan-2-yloxy)carbamate
CID 11790630
(2R,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxyoxolane-2-carboxamide
CID 97023842
(2S)-2-methyl-N-[(2S)-oxan-2-yl]oxypiperidine-1-carboxamide
CID 99718680
1-methyl-3-[(2R)-oxan-2-yl]oxy-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 99718585
(2R,3R)-2-tert-butyl-3-hydroxy-4-methyl-N-(oxan-2-yloxy)pentanamide
CID 139893645
N-(oxan-2-yloxy)hexanamide
CID 142707517
(1R)-2,2-dichloro-1-methyl-N-[(2S)-oxan-2-yl]oxycyclopropane-1-carboxamide
CID 94820955
4-(dimethylsulfamoyl)-N-(oxan-2-yloxy)benzamide
CID 51103221
4-(dimethylsulfamoyl)-N-[(2R)-oxan-2-yl]oxybenzamide
CID 94824413
3-(dimethylamino)-N-(oxan-2-yloxy)benzamide
CID 60612522
2-cyclohexyloxy-N-(oxan-2-yloxy)propanamide
CID 91642782

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,3-bis(oxan-2-yloxy)urea?
The IUPAC name of 1-methyl-1,3-bis(oxan-2-yloxy)urea (CID 19371750) is 1-methyl-1,3-bis(oxan-2-yloxy)urea.
What is the SMILES notation for 1-methyl-1,3-bis(oxan-2-yloxy)urea?
The canonical SMILES for 1-methyl-1,3-bis(oxan-2-yloxy)urea is CN(OC1CCCCO1)C(=O)NOC1CCCCO1.
What is the InChIKey of 1-methyl-1,3-bis(oxan-2-yloxy)urea?
The InChIKey is FOIUZSIGFCRJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-14(19-11-7-3-5-9-17-11)12(15)13-18-10-6-2-4-8-16-10/h10-11H,2-9H2,1H3,(H,13,15).
What are the key properties of 1-methyl-1,3-bis(oxan-2-yloxy)urea?
1-methyl-1,3-bis(oxan-2-yloxy)urea has a molecular weight of 274.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,3-bis(oxan-2-yloxy)urea is sourced from PubChem (CID 19371750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).