3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide

C15H22N2O3 — CID 119510409

IUPAC3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCOc1ccc(OCCC(=O)NCC2CCCN2)cc1
InChIInChI=1S/C15H22N2O3/c1-19-13-4-6-14(7-5-13)20-10-8-15(18)17-11-12-3-2-9-16-12/h4-7,12,16H,2-3,8-11H2,1H3,(H,17,18)
InChIKeySJVRHGUISALTEY-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.33
Rot. Bonds7

About 3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide

3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide (PubChem CID 119510409) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
PubChem CID119510409
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCOc1ccc(OCCC(=O)NCC2CCCN2)cc1
InChIInChI=1S/C15H22N2O3/c1-19-13-4-6-14(7-5-13)20-10-8-15(18)17-11-12-3-2-9-16-12/h4-7,12,16H,2-3,8-11H2,1H3,(H,17,18)
InChIKeySJVRHGUISALTEY-UHFFFAOYSA-N
XLogP1.33
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propoxy]benzamide;hydrochloride
CID 119511609
3-(3,4-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119514495
4-(4-iodophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514046
4-(4-methylsulfonylphenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514677
2-(4-methoxyphenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119514483
3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17034638
1-[(4-methoxyphenyl)methyl]-3-(pyrrolidin-2-ylmethyl)urea
CID 117235618
4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542341
2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119509770
3-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555554
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513928
3-(4-methoxyphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424848

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide (CID 119510409) is 3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide is COc1ccc(OCCC(=O)NCC2CCCN2)cc1.
What is the InChIKey of 3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide?
The InChIKey is SJVRHGUISALTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-13-4-6-14(7-5-13)20-10-8-15(18)17-11-12-3-2-9-16-12/h4-7,12,16H,2-3,8-11H2,1H3,(H,17,18).
What are the key properties of 3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide?
3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide has a molecular weight of 278.35 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide is sourced from PubChem (CID 119510409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).