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

C17H28N2O4 — CID 108881396

IUPAC1,1-bis(2-methoxyethyl)-3-[3-(4-methylphenoxy)propyl]urea
SMILESCOCCN(CCOC)C(=O)NCCCOc1ccc(C)cc1
InChIInChI=1S/C17H28N2O4/c1-15-5-7-16(8-6-15)23-12-4-9-18-17(20)19(10-13-21-2)11-14-22-3/h5-8H,4,9-14H2,1-3H3,(H,18,20)
InChIKeyPKHBUUQPCFFHQV-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.07
Rot. Bonds11

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

1,1-bis(2-methoxyethyl)-3-[3-(4-methylphenoxy)propyl]urea (PubChem CID 108881396) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1,1-bis(2-methoxyethyl)-3-[3-(4-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1,1-bis(2-methoxyethyl)-3-[3-(4-methylphenoxy)propyl]urea
PubChem CID108881396
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name1,1-bis(2-methoxyethyl)-3-[3-(4-methylphenoxy)propyl]urea
SMILESCOCCN(CCOC)C(=O)NCCCOc1ccc(C)cc1
InChIInChI=1S/C17H28N2O4/c1-15-5-7-16(8-6-15)23-12-4-9-18-17(20)19(10-13-21-2)11-14-22-3/h5-8H,4,9-14H2,1-3H3,(H,18,20)
InChIKeyPKHBUUQPCFFHQV-UHFFFAOYSA-N
XLogP2.07
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,1-bis(2-methoxyethyl)-3-[3-(4-methylphenoxy)propyl]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

1,1-bis(2-methoxyethyl)-3-[(4-methylphenoxy)methyl]urea
CID 108893008
N-[3-(4-methylphenoxy)propyl]acetamide
CID 58966904
1-[3-(dimethylamino)propyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970015
3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]urea
CID 119064153
1,3-bis[4-(4-methylphenoxy)butyl]urea
CID 47093546
1-(2-methoxyethyl)-2-methyl-3-[3-(4-methylphenoxy)propyl]guanidine
CID 110940234
N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112991225
3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,1-bis(2-methoxyethyl)urea
CID 108889531
3-[3-(4-tert-butylphenoxy)propyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 108882833
methyl 3-[2-methoxyethyl-[2-(4-methylphenoxy)ethyl]amino]propanoate
CID 78958910
1-(3-methoxypropyl)-2-methyl-3-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide
CID 110974758
3-[2-(4-tert-butylphenoxy)ethyl]-1-(2-methoxyethyl)-1-methylurea
CID 60545386

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-methoxyethyl)-3-[3-(4-methylphenoxy)propyl]urea?
The IUPAC name of 1,1-bis(2-methoxyethyl)-3-[3-(4-methylphenoxy)propyl]urea (CID 108881396) is 1,1-bis(2-methoxyethyl)-3-[3-(4-methylphenoxy)propyl]urea.
What is the SMILES notation for 1,1-bis(2-methoxyethyl)-3-[3-(4-methylphenoxy)propyl]urea?
The canonical SMILES for 1,1-bis(2-methoxyethyl)-3-[3-(4-methylphenoxy)propyl]urea is COCCN(CCOC)C(=O)NCCCOc1ccc(C)cc1.
What is the InChIKey of 1,1-bis(2-methoxyethyl)-3-[3-(4-methylphenoxy)propyl]urea?
The InChIKey is PKHBUUQPCFFHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-15-5-7-16(8-6-15)23-12-4-9-18-17(20)19(10-13-21-2)11-14-22-3/h5-8H,4,9-14H2,1-3H3,(H,18,20).
What are the key properties of 1,1-bis(2-methoxyethyl)-3-[3-(4-methylphenoxy)propyl]urea?
1,1-bis(2-methoxyethyl)-3-[3-(4-methylphenoxy)propyl]urea has a molecular weight of 324.42 g/mol, XLogP of 2.07, 11 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-[3-(4-methylphenoxy)propyl]urea is sourced from PubChem (CID 108881396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).