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

C20H25N3O2 — CID 95157772

IUPAC1-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(2-methylphenyl)urea
SMILESCOc1cccc(N2CC[C@H](CNC(=O)Nc3ccccc3C)C2)c1
InChIInChI=1S/C20H25N3O2/c1-15-6-3-4-9-19(15)22-20(24)21-13-16-10-11-23(14-16)17-7-5-8-18(12-17)25-2/h3-9,12,16H,10-11,13-14H2,1-2H3,(H2,21,22,24)/t16-/m1/s1
InChIKeyUXTRTYZPPLJSPT-MRXNPFEDSA-N
MW339.44 g/mol
LogP3.65
Rot. Bonds5

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

1-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(2-methylphenyl)urea (PubChem CID 95157772) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(2-methylphenyl)urea
PubChem CID95157772
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(2-methylphenyl)urea
SMILESCOc1cccc(N2CC[C@H](CNC(=O)Nc3ccccc3C)C2)c1
InChIInChI=1S/C20H25N3O2/c1-15-6-3-4-9-19(15)22-20(24)21-13-16-10-11-23(14-16)17-7-5-8-18(12-17)25-2/h3-9,12,16H,10-11,13-14H2,1-2H3,(H2,21,22,24)/t16-/m1/s1
InChIKeyUXTRTYZPPLJSPT-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

N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide
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CID 95300449
1-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 98760898
1-(4-hydroxycyclohexyl)-3-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
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1-(furan-2-ylmethyl)-3-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 95149324
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CID 94821491
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CID 4226014
3-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylcarbamoyl-methylamino]propanoic acid
CID 122000111
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide
CID 95285621
4-(methoxymethyl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
CID 120645829
(2S)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(2-methylphenyl)urea (CID 95157772) is 1-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(2-methylphenyl)urea is COc1cccc(N2CC[C@H](CNC(=O)Nc3ccccc3C)C2)c1.
What is the InChIKey of 1-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(2-methylphenyl)urea?
The InChIKey is UXTRTYZPPLJSPT-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-6-3-4-9-19(15)22-20(24)21-13-16-10-11-23(14-16)17-7-5-8-18(12-17)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-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(2-methylphenyl)urea?
1-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(2-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-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 95157772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).