1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenoxy)methyl]urea

C19H24N2O5 — CID 108892136

IUPAC1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenoxy)methyl]urea
SMILESCOc1ccc(C(C)NC(=O)NCOc2ccccc2OC)cc1OC
InChIInChI=1S/C19H24N2O5/c1-13(14-9-10-16(24-3)18(11-14)25-4)21-19(22)20-12-26-17-8-6-5-7-15(17)23-2/h5-11,13H,12H2,1-4H3,(H2,20,21,22)
InChIKeyPIEFAIHCAYLGAH-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.11
Rot. Bonds8

About 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenoxy)methyl]urea

1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenoxy)methyl]urea (PubChem CID 108892136) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenoxy)methyl]urea.

Molecular Properties

Compound Name1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenoxy)methyl]urea
PubChem CID108892136
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenoxy)methyl]urea
SMILESCOc1ccc(C(C)NC(=O)NCOc2ccccc2OC)cc1OC
InChIInChI=1S/C19H24N2O5/c1-13(14-9-10-16(24-3)18(11-14)25-4)21-19(22)20-12-26-17-8-6-5-7-15(17)23-2/h5-11,13H,12H2,1-4H3,(H2,20,21,22)
InChIKeyPIEFAIHCAYLGAH-UHFFFAOYSA-N
XLogP3.11
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2,3,6-trimethylphenoxy)methyl]urea
CID 108880163
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyethyl)urea
CID 108886994
1-ethyl-3-[(1R)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]urea
CID 94192184
1-[(2-ethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108893244
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 92679204
(2R)-2-chloro-N-[2-[[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]carbamoylamino]ethyl]propanamide
CID 124885683
1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 133204349
(2S)-2-chloro-N-[2-[[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]carbamoylamino]ethyl]propanamide
CID 124885687
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
1-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 55809027
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46415728
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
CID 108889393

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenoxy)methyl]urea?
The IUPAC name of 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenoxy)methyl]urea (CID 108892136) is 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenoxy)methyl]urea.
What is the SMILES notation for 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenoxy)methyl]urea?
The canonical SMILES for 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenoxy)methyl]urea is COc1ccc(C(C)NC(=O)NCOc2ccccc2OC)cc1OC.
What is the InChIKey of 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenoxy)methyl]urea?
The InChIKey is PIEFAIHCAYLGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-13(14-9-10-16(24-3)18(11-14)25-4)21-19(22)20-12-26-17-8-6-5-7-15(17)23-2/h5-11,13H,12H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenoxy)methyl]urea?
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenoxy)methyl]urea has a molecular weight of 360.41 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenoxy)methyl]urea is sourced from PubChem (CID 108892136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).