1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea

C19H24N2O5 — CID 90623649

IUPAC1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cc(NC(=O)NCC(OC)c2cccc(OC)c2)cc(OC)c1
InChIInChI=1S/C19H24N2O5/c1-23-15-7-5-6-13(8-15)18(26-4)12-20-19(22)21-14-9-16(24-2)11-17(10-14)25-3/h5-11,18H,12H2,1-4H3,(H2,20,21,22)
InChIKeyCATGGEUMHPEAJP-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.22
Rot. Bonds8

About 1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea

1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea (PubChem CID 90623649) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea
PubChem CID90623649
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cc(NC(=O)NCC(OC)c2cccc(OC)c2)cc(OC)c1
InChIInChI=1S/C19H24N2O5/c1-23-15-7-5-6-13(8-15)18(26-4)12-20-19(22)21-14-9-16(24-2)11-17(10-14)25-3/h5-11,18H,12H2,1-4H3,(H2,20,21,22)
InChIKeyCATGGEUMHPEAJP-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90623654
N'-(4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 90623549
1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea
CID 90623652
N'-(2,6-dimethylphenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 90623559
1-(3-methoxyphenyl)-3-(2-phenylpropyl)urea
CID 51328278
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(3,5-dimethoxyphenyl)urea
CID 51944524
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea
CID 90623658
1-[(2S)-2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(oxan-4-yl)urea
CID 100678238
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea
CID 90623219
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 111115027
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-methylbenzamide
CID 90623269
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 73168488

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea (CID 90623649) is 1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea is COc1cc(NC(=O)NCC(OC)c2cccc(OC)c2)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea?
The InChIKey is CATGGEUMHPEAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-23-15-7-5-6-13(8-15)18(26-4)12-20-19(22)21-14-9-16(24-2)11-17(10-14)25-3/h5-11,18H,12H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea?
1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea has a molecular weight of 360.41 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 90623649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).