1-(2,2-dimethoxyethyl)-3-(4-ethoxyphenyl)urea

C13H20N2O4 — CID 3823271

IUPAC1-(2,2-dimethoxyethyl)-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NCC(OC)OC)cc1
InChIInChI=1S/C13H20N2O4/c1-4-19-11-7-5-10(6-8-11)15-13(16)14-9-12(17-2)18-3/h5-8,12H,4,9H2,1-3H3,(H2,14,15,16)
InChIKeyNUPKXWZKOCGVHQ-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.83
Rot. Bonds7

About 1-(2,2-dimethoxyethyl)-3-(4-ethoxyphenyl)urea

1-(2,2-dimethoxyethyl)-3-(4-ethoxyphenyl)urea (PubChem CID 3823271) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)-3-(4-ethoxyphenyl)urea
PubChem CID3823271
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-(2,2-dimethoxyethyl)-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NCC(OC)OC)cc1
InChIInChI=1S/C13H20N2O4/c1-4-19-11-7-5-10(6-8-11)15-13(16)14-9-12(17-2)18-3/h5-8,12H,4,9H2,1-3H3,(H2,14,15,16)
InChIKeyNUPKXWZKOCGVHQ-UHFFFAOYSA-N
XLogP1.83
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
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

3-[(4-ethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66167760
1-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111430929
1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea
CID 95157706
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214
1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890719
1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea
CID 95367109
1-(4-ethoxyphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892159
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112975715
N-[(4-ethoxyphenyl)carbamoyl]formamide
CID 174454424
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethyl)-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-(2,2-dimethoxyethyl)-3-(4-ethoxyphenyl)urea (CID 3823271) is 1-(2,2-dimethoxyethyl)-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-(2,2-dimethoxyethyl)-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)NCC(OC)OC)cc1.
What is the InChIKey of 1-(2,2-dimethoxyethyl)-3-(4-ethoxyphenyl)urea?
The InChIKey is NUPKXWZKOCGVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-4-19-11-7-5-10(6-8-11)15-13(16)14-9-12(17-2)18-3/h5-8,12H,4,9H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-(2,2-dimethoxyethyl)-3-(4-ethoxyphenyl)urea?
1-(2,2-dimethoxyethyl)-3-(4-ethoxyphenyl)urea has a molecular weight of 268.31 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)-3-(4-ethoxyphenyl)urea is sourced from PubChem (CID 3823271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).