N-(3-phenylmethoxypropyl)-2-pyrrolidin-2-ylacetamide

C16H24N2O2 — CID 61363913

IUPACN-(3-phenylmethoxypropyl)-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCCCOCc1ccccc1
InChIInChI=1S/C16H24N2O2/c19-16(12-15-8-4-9-17-15)18-10-5-11-20-13-14-6-2-1-3-7-14/h1-3,6-7,15,17H,4-5,8-13H2,(H,18,19)
InChIKeyOGHLPKROTCVZNP-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.85
Rot. Bonds8

About N-(3-phenylmethoxypropyl)-2-pyrrolidin-2-ylacetamide

N-(3-phenylmethoxypropyl)-2-pyrrolidin-2-ylacetamide (PubChem CID 61363913) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3-phenylmethoxypropyl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(3-phenylmethoxypropyl)-2-pyrrolidin-2-ylacetamide
PubChem CID61363913
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(3-phenylmethoxypropyl)-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCCCOCc1ccccc1
InChIInChI=1S/C16H24N2O2/c19-16(12-15-8-4-9-17-15)18-10-5-11-20-13-14-6-2-1-3-7-14/h1-3,6-7,15,17H,4-5,8-13H2,(H,18,19)
InChIKeyOGHLPKROTCVZNP-UHFFFAOYSA-N
XLogP1.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylmethoxypropyl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(3-phenylmethoxypropyl)-2-pyrrolidin-2-ylacetamide (CID 61363913) is N-(3-phenylmethoxypropyl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(3-phenylmethoxypropyl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(3-phenylmethoxypropyl)-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)NCCCOCc1ccccc1.
What is the InChIKey of N-(3-phenylmethoxypropyl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is OGHLPKROTCVZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-16(12-15-8-4-9-17-15)18-10-5-11-20-13-14-6-2-1-3-7-14/h1-3,6-7,15,17H,4-5,8-13H2,(H,18,19).
What are the key properties of N-(3-phenylmethoxypropyl)-2-pyrrolidin-2-ylacetamide?
N-(3-phenylmethoxypropyl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 276.38 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylmethoxypropyl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61363913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).