1-methyl-1-(1-methylpyrrolidin-3-yl)-3-(2-phenylmethoxyphenyl)urea

C20H25N3O2 — CID 72928602

IUPAC1-methyl-1-(1-methylpyrrolidin-3-yl)-3-(2-phenylmethoxyphenyl)urea
SMILESCN1CCC(N(C)C(=O)Nc2ccccc2OCc2ccccc2)C1
InChIInChI=1S/C20H25N3O2/c1-22-13-12-17(14-22)23(2)20(24)21-18-10-6-7-11-19(18)25-15-16-8-4-3-5-9-16/h3-11,17H,12-15H2,1-2H3,(H,21,24)
InChIKeyUTFLWIPPAAKQKA-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.43
Rot. Bonds5

About 1-methyl-1-(1-methylpyrrolidin-3-yl)-3-(2-phenylmethoxyphenyl)urea

1-methyl-1-(1-methylpyrrolidin-3-yl)-3-(2-phenylmethoxyphenyl)urea (PubChem CID 72928602) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-methyl-1-(1-methylpyrrolidin-3-yl)-3-(2-phenylmethoxyphenyl)urea.

Molecular Properties

Compound Name1-methyl-1-(1-methylpyrrolidin-3-yl)-3-(2-phenylmethoxyphenyl)urea
PubChem CID72928602
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-methyl-1-(1-methylpyrrolidin-3-yl)-3-(2-phenylmethoxyphenyl)urea
SMILESCN1CCC(N(C)C(=O)Nc2ccccc2OCc2ccccc2)C1
InChIInChI=1S/C20H25N3O2/c1-22-13-12-17(14-22)23(2)20(24)21-18-10-6-7-11-19(18)25-15-16-8-4-3-5-9-16/h3-11,17H,12-15H2,1-2H3,(H,21,24)
InChIKeyUTFLWIPPAAKQKA-UHFFFAOYSA-N
XLogP3.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenyl)-1-methyl-1-[(3R)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]urea
CID 95980253
1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-3-(2-methoxyphenyl)-1-methylurea
CID 95784313
1-(1,3-dimethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-methylurea
CID 86768670
N-(2-phenylmethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 17093436
3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743192
3-(5-fluoro-2-pyridinyl)-1-methyl-1-(1-methylpyrrolidin-3-yl)urea
CID 154764943
1-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-1-methyl-3-[2-(2,2,2-trifluoroethoxy)phenyl]urea
CID 97099748
2-(ethylamino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54820872
3-(2,6-dimethoxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108867823
2-chloro-N-(2-phenylmethoxyphenyl)acetamide
CID 154832938
1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 166280765
N-benzyl-N-(1-methylpyrrolidin-3-yl)acetamide
CID 23563457

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(1-methylpyrrolidin-3-yl)-3-(2-phenylmethoxyphenyl)urea?
The IUPAC name of 1-methyl-1-(1-methylpyrrolidin-3-yl)-3-(2-phenylmethoxyphenyl)urea (CID 72928602) is 1-methyl-1-(1-methylpyrrolidin-3-yl)-3-(2-phenylmethoxyphenyl)urea.
What is the SMILES notation for 1-methyl-1-(1-methylpyrrolidin-3-yl)-3-(2-phenylmethoxyphenyl)urea?
The canonical SMILES for 1-methyl-1-(1-methylpyrrolidin-3-yl)-3-(2-phenylmethoxyphenyl)urea is CN1CCC(N(C)C(=O)Nc2ccccc2OCc2ccccc2)C1.
What is the InChIKey of 1-methyl-1-(1-methylpyrrolidin-3-yl)-3-(2-phenylmethoxyphenyl)urea?
The InChIKey is UTFLWIPPAAKQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-22-13-12-17(14-22)23(2)20(24)21-18-10-6-7-11-19(18)25-15-16-8-4-3-5-9-16/h3-11,17H,12-15H2,1-2H3,(H,21,24).
What are the key properties of 1-methyl-1-(1-methylpyrrolidin-3-yl)-3-(2-phenylmethoxyphenyl)urea?
1-methyl-1-(1-methylpyrrolidin-3-yl)-3-(2-phenylmethoxyphenyl)urea has a molecular weight of 339.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1-methylpyrrolidin-3-yl)-3-(2-phenylmethoxyphenyl)urea is sourced from PubChem (CID 72928602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).