N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide

C16H24N2O2 — CID 12952125

IUPACN-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
SMILESCC(=O)NCCCOc1cccc(CN2CCCC2)c1
InChIInChI=1S/C16H24N2O2/c1-14(19)17-8-5-11-20-16-7-4-6-15(12-16)13-18-9-2-3-10-18/h4,6-7,12H,2-3,5,8-11,13H2,1H3,(H,17,19)
InChIKeyMOSNWORWYIVCRB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.19
Rot. Bonds7

About N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide

N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide (PubChem CID 12952125) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
PubChem CID12952125
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
SMILESCC(=O)NCCCOc1cccc(CN2CCCC2)c1
InChIInChI=1S/C16H24N2O2/c1-14(19)17-8-5-11-20-16-7-4-6-15(12-16)13-18-9-2-3-10-18/h4,6-7,12H,2-3,5,8-11,13H2,1H3,(H,17,19)
InChIKeyMOSNWORWYIVCRB-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 70559206
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propylurea
CID 14514747
[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate
CID 5105
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea
CID 14514755
N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide
CID 14792225
3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
CID 86182371
4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]butan-2-one
CID 67876271
2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzene-1,2-dicarboxamide
CID 20567167
3-(2-hydroxyethylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
CID 20567188
2-nitro-1-N,1-N'-bis[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]ethene-1,1-diamine
CID 20559430
2-[(4-methylphenyl)methoxy]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 58756726
[methyl-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylcarbamothioyl]amino]urea
CID 57040317

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide?
The IUPAC name of N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide (CID 12952125) is N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide.
What is the SMILES notation for N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide?
The canonical SMILES for N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide is CC(=O)NCCCOc1cccc(CN2CCCC2)c1.
What is the InChIKey of N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide?
The InChIKey is MOSNWORWYIVCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-14(19)17-8-5-11-20-16-7-4-6-15(12-16)13-18-9-2-3-10-18/h4,6-7,12H,2-3,5,8-11,13H2,1H3,(H,17,19).
What are the key properties of N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide?
N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide is sourced from PubChem (CID 12952125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).