1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea

C20H25N3O2 — CID 125145752

IUPAC1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea
SMILESCOc1ccccc1N1CC[C@H](CNC(=O)Nc2cccc(C)c2)C1
InChIInChI=1S/C20H25N3O2/c1-15-6-5-7-17(12-15)22-20(24)21-13-16-10-11-23(14-16)18-8-3-4-9-19(18)25-2/h3-9,12,16H,10-11,13-14H2,1-2H3,(H2,21,22,24)/t16-/m1/s1
InChIKeyHHABMBWWXFSKMW-MRXNPFEDSA-N
MW339.44 g/mol
LogP3.65
Rot. Bonds5

About 1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea

1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea (PubChem CID 125145752) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea
PubChem CID125145752
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea
SMILESCOc1ccccc1N1CC[C@H](CNC(=O)Nc2cccc(C)c2)C1
InChIInChI=1S/C20H25N3O2/c1-15-6-5-7-17(12-15)22-20(24)21-13-16-10-11-23(14-16)18-8-3-4-9-19(18)25-2/h3-9,12,16H,10-11,13-14H2,1-2H3,(H2,21,22,24)/t16-/m1/s1
InChIKeyHHABMBWWXFSKMW-MRXNPFEDSA-N
XLogP3.65
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 52510079
1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-[(2R)-3-methylbutan-2-yl]urea
CID 95141065
1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea
CID 41256618
2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 119870921
1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-methylphenyl)urea
CID 23609402
1-heptan-2-yl-3-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 60614251
2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(4-methylphenyl)acetamide
CID 120670049
2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 47091619
5-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylbenzamide
CID 120645819
N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(methylamino)butanamide
CID 119870925
4-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
CID 120565194
cis-(1R,3S)-3-amino-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 125135335

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea (CID 125145752) is 1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea is COc1ccccc1N1CC[C@H](CNC(=O)Nc2cccc(C)c2)C1.
What is the InChIKey of 1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea?
The InChIKey is HHABMBWWXFSKMW-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-6-5-7-17(12-15)22-20(24)21-13-16-10-11-23(14-16)18-8-3-4-9-19(18)25-2/h3-9,12,16H,10-11,13-14H2,1-2H3,(H2,21,22,24)/t16-/m1/s1.
What are the key properties of 1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea?
1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea has a molecular weight of 339.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 125145752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).