1-(2,2-diethoxyethyl)-3-(3-phenoxypropyl)urea

C16H26N2O4 — CID 108883305

IUPAC1-(2,2-diethoxyethyl)-3-(3-phenoxypropyl)urea
SMILESCCOC(CNC(=O)NCCCOc1ccccc1)OCC
InChIInChI=1S/C16H26N2O4/c1-3-20-15(21-4-2)13-18-16(19)17-11-8-12-22-14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3,(H2,17,18,19)
InChIKeyYRYFNIYAYBIWIC-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.15
Rot. Bonds11

About 1-(2,2-diethoxyethyl)-3-(3-phenoxypropyl)urea

1-(2,2-diethoxyethyl)-3-(3-phenoxypropyl)urea (PubChem CID 108883305) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)-3-(3-phenoxypropyl)urea.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)-3-(3-phenoxypropyl)urea
PubChem CID108883305
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name1-(2,2-diethoxyethyl)-3-(3-phenoxypropyl)urea
SMILESCCOC(CNC(=O)NCCCOc1ccccc1)OCC
InChIInChI=1S/C16H26N2O4/c1-3-20-15(21-4-2)13-18-16(19)17-11-8-12-22-14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3,(H2,17,18,19)
InChIKeyYRYFNIYAYBIWIC-UHFFFAOYSA-N
XLogP2.15
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,2-diethoxyethyl)-3-(3-phenoxypropyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-hydroxy-3-(3-phenoxypropylcarbamoylamino)propanoic acid
CID 107839669
ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate
CID 108883312
3,3-diethoxy-N-(3-phenoxypropyl)propan-1-amine
CID 81094197
1-[(4-chlorophenoxy)methyl]-3-(2,2-diethoxyethyl)urea
CID 108885416
1-butyl-3-(phenoxymethyl)urea
CID 108888779
methyl 2-(2-phenoxyethylcarbamoylamino)acetate
CID 108887152
1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972940
1-(2,2-diethoxyethyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879692
2-amino-N-(2,2-diethoxyethyl)-2-phenylacetamide
CID 13390917
3-[(2-ethoxy-2-phenylethyl)carbamoylamino]propanoic acid
CID 122012065
1-(1-hydroxybutan-2-yl)-3-(2-phenoxyethyl)urea
CID 75816995
4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride
CID 120559424

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethyl)-3-(3-phenoxypropyl)urea?
The IUPAC name of 1-(2,2-diethoxyethyl)-3-(3-phenoxypropyl)urea (CID 108883305) is 1-(2,2-diethoxyethyl)-3-(3-phenoxypropyl)urea.
What is the SMILES notation for 1-(2,2-diethoxyethyl)-3-(3-phenoxypropyl)urea?
The canonical SMILES for 1-(2,2-diethoxyethyl)-3-(3-phenoxypropyl)urea is CCOC(CNC(=O)NCCCOc1ccccc1)OCC.
What is the InChIKey of 1-(2,2-diethoxyethyl)-3-(3-phenoxypropyl)urea?
The InChIKey is YRYFNIYAYBIWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-3-20-15(21-4-2)13-18-16(19)17-11-8-12-22-14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(2,2-diethoxyethyl)-3-(3-phenoxypropyl)urea?
1-(2,2-diethoxyethyl)-3-(3-phenoxypropyl)urea has a molecular weight of 310.39 g/mol, XLogP of 2.15, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)-3-(3-phenoxypropyl)urea is sourced from PubChem (CID 108883305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).