1-(2,2-diethoxyethyl)-1-methyl-3-(4-phenoxyphenyl)urea

C20H26N2O4 — CID 23451795

IUPAC1-(2,2-diethoxyethyl)-1-methyl-3-(4-phenoxyphenyl)urea
SMILESCCOC(CN(C)C(=O)Nc1ccc(Oc2ccccc2)cc1)OCC
InChIInChI=1S/C20H26N2O4/c1-4-24-19(25-5-2)15-22(3)20(23)21-16-11-13-18(14-12-16)26-17-9-7-6-8-10-17/h6-14,19H,4-5,15H2,1-3H3,(H,21,23)
InChIKeyBJXDUYHAPNAIBS-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.34
Rot. Bonds9

About 1-(2,2-diethoxyethyl)-1-methyl-3-(4-phenoxyphenyl)urea

1-(2,2-diethoxyethyl)-1-methyl-3-(4-phenoxyphenyl)urea (PubChem CID 23451795) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)-1-methyl-3-(4-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)-1-methyl-3-(4-phenoxyphenyl)urea
PubChem CID23451795
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name1-(2,2-diethoxyethyl)-1-methyl-3-(4-phenoxyphenyl)urea
SMILESCCOC(CN(C)C(=O)Nc1ccc(Oc2ccccc2)cc1)OCC
InChIInChI=1S/C20H26N2O4/c1-4-24-19(25-5-2)15-22(3)20(23)21-16-11-13-18(14-12-16)26-17-9-7-6-8-10-17/h6-14,19H,4-5,15H2,1-3H3,(H,21,23)
InChIKeyBJXDUYHAPNAIBS-UHFFFAOYSA-N
XLogP4.34
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.34
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

N-(2-ethylphenyl)-2-[methyl-[(4-phenoxyphenyl)carbamoyl]amino]acetamide
CID 55696777
2-oxo-N-(4-phenoxyphenyl)propanamide
CID 115175317
1-(2,2-diethoxyethyl)-3-(4-iodophenyl)-1-(2-phenylethyl)urea
CID 3779879
2-bromo-N-(4-phenoxyphenyl)butanamide
CID 63463042
2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid
CID 43318374
3-[(4-butan-2-yloxyphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122077718
1-ethyl-1-methyl-3-(4-phenylphenyl)urea
CID 115603727
3-(4-cyanophenyl)-1-(2,2-diethoxyethyl)-1-(2-phenylethyl)urea
CID 3742710
ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate
CID 108865510
[2-(dimethylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]azanium
CID 8712180
1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-(4-phenoxyphenyl)urea
CID 69028216
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(4-phenoxyphenyl)acetamide
CID 9049215

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethyl)-1-methyl-3-(4-phenoxyphenyl)urea?
The IUPAC name of 1-(2,2-diethoxyethyl)-1-methyl-3-(4-phenoxyphenyl)urea (CID 23451795) is 1-(2,2-diethoxyethyl)-1-methyl-3-(4-phenoxyphenyl)urea.
What is the SMILES notation for 1-(2,2-diethoxyethyl)-1-methyl-3-(4-phenoxyphenyl)urea?
The canonical SMILES for 1-(2,2-diethoxyethyl)-1-methyl-3-(4-phenoxyphenyl)urea is CCOC(CN(C)C(=O)Nc1ccc(Oc2ccccc2)cc1)OCC.
What is the InChIKey of 1-(2,2-diethoxyethyl)-1-methyl-3-(4-phenoxyphenyl)urea?
The InChIKey is BJXDUYHAPNAIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-4-24-19(25-5-2)15-22(3)20(23)21-16-11-13-18(14-12-16)26-17-9-7-6-8-10-17/h6-14,19H,4-5,15H2,1-3H3,(H,21,23).
What are the key properties of 1-(2,2-diethoxyethyl)-1-methyl-3-(4-phenoxyphenyl)urea?
1-(2,2-diethoxyethyl)-1-methyl-3-(4-phenoxyphenyl)urea has a molecular weight of 358.44 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)-1-methyl-3-(4-phenoxyphenyl)urea is sourced from PubChem (CID 23451795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).