1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea

C13H19N3O2 — CID 62539868

IUPAC1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea
SMILESCOc1ccccc1NC(=O)NCC1CCCN1
InChIInChI=1S/C13H19N3O2/c1-18-12-7-3-2-6-11(12)16-13(17)15-9-10-5-4-8-14-10/h2-3,6-7,10,14H,4-5,8-9H2,1H3,(H2,15,16,17)
InChIKeyIISOLLGWUHVHFY-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.57
Rot. Bonds4

About 1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea

1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea (PubChem CID 62539868) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea
PubChem CID62539868
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea
SMILESCOc1ccccc1NC(=O)NCC1CCCN1
InChIInChI=1S/C13H19N3O2/c1-18-12-7-3-2-6-11(12)16-13(17)15-9-10-5-4-8-14-10/h2-3,6-7,10,14H,4-5,8-9H2,1H3,(H2,15,16,17)
InChIKeyIISOLLGWUHVHFY-UHFFFAOYSA-N
XLogP1.57
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-2-ylmethyl N-(2-methoxyphenyl)carbamate
CID 79337607
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CID 119510808
2-methyl-3-[[(2S)-pyrrolidin-2-yl]methylcarbamoylamino]benzamide
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CID 107147403
1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea
CID 55100972
2-(2-ethylphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119510399
methyl 3-[[(2S)-pyrrolidin-2-yl]methylcarbamoylamino]benzoate;hydrochloride
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1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 94800132
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea (CID 62539868) is 1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea is COc1ccccc1NC(=O)NCC1CCCN1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea?
The InChIKey is IISOLLGWUHVHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-12-7-3-2-6-11(12)16-13(17)15-9-10-5-4-8-14-10/h2-3,6-7,10,14H,4-5,8-9H2,1H3,(H2,15,16,17).
What are the key properties of 1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea?
1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea has a molecular weight of 249.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea is sourced from PubChem (CID 62539868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).