3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide

C14H20N2O2 — CID 80564423

IUPAC3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide
SMILESO=C(CCOc1ccccc1)NCC1CCNC1
InChIInChI=1S/C14H20N2O2/c17-14(16-11-12-6-8-15-10-12)7-9-18-13-4-2-1-3-5-13/h1-5,12,15H,6-11H2,(H,16,17)
InChIKeyIXPXOXMHSXFFQQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.18
Rot. Bonds6

About 3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide

3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide (PubChem CID 80564423) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide
PubChem CID80564423
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide
SMILESO=C(CCOc1ccccc1)NCC1CCNC1
InChIInChI=1S/C14H20N2O2/c17-14(16-11-12-6-8-15-10-12)7-9-18-13-4-2-1-3-5-13/h1-5,12,15H,6-11H2,(H,16,17)
InChIKeyIXPXOXMHSXFFQQ-UHFFFAOYSA-N
XLogP1.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547
N-(2-phenoxyethyl)-3-piperidin-4-ylpropanamide
CID 62211306
4-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide;hydrochloride
CID 119461600
3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide
CID 119464575
N-(3-phenoxypropyl)-3-piperidin-4-ylpropanamide
CID 62378766
N-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide
CID 106123073
3-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)propanamide
CID 119463901
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279
2-(2-phenoxyethoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119533647
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-phenoxypropanamide
CID 43594528
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide
CID 95209551
3-phenylmethoxy-N-(piperidin-3-ylmethyl)propanamide
CID 119461064

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide?
The IUPAC name of 3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide (CID 80564423) is 3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide?
The canonical SMILES for 3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide is O=C(CCOc1ccccc1)NCC1CCNC1.
What is the InChIKey of 3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide?
The InChIKey is IXPXOXMHSXFFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-14(16-11-12-6-8-15-10-12)7-9-18-13-4-2-1-3-5-13/h1-5,12,15H,6-11H2,(H,16,17).
What are the key properties of 3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide?
3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide is sourced from PubChem (CID 80564423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).