1-(2-methoxyethyl)-3-[3-(4-phenylmethoxyphenyl)propyl]urea

C20H26N2O3 — CID 110421761

IUPAC1-(2-methoxyethyl)-3-[3-(4-phenylmethoxyphenyl)propyl]urea
SMILESCOCCNC(=O)NCCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O3/c1-24-15-14-22-20(23)21-13-5-8-17-9-11-19(12-10-17)25-16-18-6-3-2-4-7-18/h2-4,6-7,9-12H,5,8,13-16H2,1H3,(H2,21,22,23)
InChIKeyMPNRXQJNCXYNEK-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.14
Rot. Bonds10

About 1-(2-methoxyethyl)-3-[3-(4-phenylmethoxyphenyl)propyl]urea

1-(2-methoxyethyl)-3-[3-(4-phenylmethoxyphenyl)propyl]urea (PubChem CID 110421761) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[3-(4-phenylmethoxyphenyl)propyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[3-(4-phenylmethoxyphenyl)propyl]urea
PubChem CID110421761
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-(2-methoxyethyl)-3-[3-(4-phenylmethoxyphenyl)propyl]urea
SMILESCOCCNC(=O)NCCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O3/c1-24-15-14-22-20(23)21-13-5-8-17-9-11-19(12-10-17)25-16-18-6-3-2-4-7-18/h2-4,6-7,9-12H,5,8,13-16H2,1H3,(H2,21,22,23)
InChIKeyMPNRXQJNCXYNEK-UHFFFAOYSA-N
XLogP3.14
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198
1-(8-methoxyoctyl)-4-phenylmethoxybenzene
CID 15052396
N-(2-methoxyethyl)-3-(4-phenylmethoxyanilino)propanamide
CID 109015111
3-(2-methoxyethylamino)-N-(3-phenylpropyl)propanamide
CID 109015207
methyl 3-[[4-[6-(4-phenylmethoxyphenoxy)hexyl]benzoyl]amino]propanoate
CID 67485483
6-oxo-N-[3-(4-phenylmethoxyphenyl)propyl]-1H-pyridine-3-carboxamide
CID 110612295
3-[3-[4-[2-(4-phenylmethoxyphenyl)ethoxy]phenyl]propylamino]propanoic acid
CID 23121054
1-[(4-ethoxyphenoxy)methyl]-3-(4-phenylbutyl)urea
CID 108890956
N-[3-(4-methoxyphenyl)propyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55919627
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661
2-methyl-N-[3-(4-phenylmethoxyphenyl)propyl]propan-2-amine
CID 56995593
1-(phenoxymethyl)-3-(4-phenylbutyl)urea
CID 108889088

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[3-(4-phenylmethoxyphenyl)propyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[3-(4-phenylmethoxyphenyl)propyl]urea (CID 110421761) is 1-(2-methoxyethyl)-3-[3-(4-phenylmethoxyphenyl)propyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[3-(4-phenylmethoxyphenyl)propyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[3-(4-phenylmethoxyphenyl)propyl]urea is COCCNC(=O)NCCCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[3-(4-phenylmethoxyphenyl)propyl]urea?
The InChIKey is MPNRXQJNCXYNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-24-15-14-22-20(23)21-13-5-8-17-9-11-19(12-10-17)25-16-18-6-3-2-4-7-18/h2-4,6-7,9-12H,5,8,13-16H2,1H3,(H2,21,22,23).
What are the key properties of 1-(2-methoxyethyl)-3-[3-(4-phenylmethoxyphenyl)propyl]urea?
1-(2-methoxyethyl)-3-[3-(4-phenylmethoxyphenyl)propyl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.14, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[3-(4-phenylmethoxyphenyl)propyl]urea is sourced from PubChem (CID 110421761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).