1,1-bis(2-methoxyethyl)-3-[(4-methylphenoxy)methyl]urea

C15H24N2O4 — CID 108893008

IUPAC1,1-bis(2-methoxyethyl)-3-[(4-methylphenoxy)methyl]urea
SMILESCOCCN(CCOC)C(=O)NCOc1ccc(C)cc1
InChIInChI=1S/C15H24N2O4/c1-13-4-6-14(7-5-13)21-12-16-15(18)17(8-10-19-2)9-11-20-3/h4-7H,8-12H2,1-3H3,(H,16,18)
InChIKeyZDLJROUIZIATRB-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.64
Rot. Bonds9

About 1,1-bis(2-methoxyethyl)-3-[(4-methylphenoxy)methyl]urea

1,1-bis(2-methoxyethyl)-3-[(4-methylphenoxy)methyl]urea (PubChem CID 108893008) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1,1-bis(2-methoxyethyl)-3-[(4-methylphenoxy)methyl]urea.

Molecular Properties

Compound Name1,1-bis(2-methoxyethyl)-3-[(4-methylphenoxy)methyl]urea
PubChem CID108893008
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1,1-bis(2-methoxyethyl)-3-[(4-methylphenoxy)methyl]urea
SMILESCOCCN(CCOC)C(=O)NCOc1ccc(C)cc1
InChIInChI=1S/C15H24N2O4/c1-13-4-6-14(7-5-13)21-12-16-15(18)17(8-10-19-2)9-11-20-3/h4-7H,8-12H2,1-3H3,(H,16,18)
InChIKeyZDLJROUIZIATRB-UHFFFAOYSA-N
XLogP1.64
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-bis(2-methoxyethyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881396
methyl 3-[2-methoxyethyl-[2-(4-methylphenoxy)ethyl]amino]propanoate
CID 78958910
3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]urea
CID 119064153
3-ethyl-1,1-bis(2-methoxyethyl)urea
CID 108890462
N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 70804384
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
4-butoxy-N-(2-methoxyethyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3405435
1-methyl-3-[(4-methylphenoxy)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 108892852
3-[(4-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea
CID 44756384
2-[acetyl(2-methoxyethyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113159818
3-[2-(4-chlorophenyl)ethyl]-1,1-bis(2-methoxyethyl)urea
CID 108891943
3-[(2-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea
CID 108897546

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-methoxyethyl)-3-[(4-methylphenoxy)methyl]urea?
The IUPAC name of 1,1-bis(2-methoxyethyl)-3-[(4-methylphenoxy)methyl]urea (CID 108893008) is 1,1-bis(2-methoxyethyl)-3-[(4-methylphenoxy)methyl]urea.
What is the SMILES notation for 1,1-bis(2-methoxyethyl)-3-[(4-methylphenoxy)methyl]urea?
The canonical SMILES for 1,1-bis(2-methoxyethyl)-3-[(4-methylphenoxy)methyl]urea is COCCN(CCOC)C(=O)NCOc1ccc(C)cc1.
What is the InChIKey of 1,1-bis(2-methoxyethyl)-3-[(4-methylphenoxy)methyl]urea?
The InChIKey is ZDLJROUIZIATRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-13-4-6-14(7-5-13)21-12-16-15(18)17(8-10-19-2)9-11-20-3/h4-7H,8-12H2,1-3H3,(H,16,18).
What are the key properties of 1,1-bis(2-methoxyethyl)-3-[(4-methylphenoxy)methyl]urea?
1,1-bis(2-methoxyethyl)-3-[(4-methylphenoxy)methyl]urea has a molecular weight of 296.37 g/mol, XLogP of 1.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-methoxyethyl)-3-[(4-methylphenoxy)methyl]urea is sourced from PubChem (CID 108893008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).