N-[3-(4-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide

C16H24N2O2 — CID 119757273

IUPACN-[3-(4-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1ccc(OCCCNC(=O)CC2CCCN2)cc1
InChIInChI=1S/C16H24N2O2/c1-13-5-7-15(8-6-13)20-11-3-10-18-16(19)12-14-4-2-9-17-14/h5-8,14,17H,2-4,9-12H2,1H3,(H,18,19)
InChIKeyRQHWBPLBHCKJPN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.02
Rot. Bonds7

About N-[3-(4-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide

N-[3-(4-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119757273) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[3-(4-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(4-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119757273
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[3-(4-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1ccc(OCCCNC(=O)CC2CCCN2)cc1
InChIInChI=1S/C16H24N2O2/c1-13-5-7-15(8-6-13)20-11-3-10-18-16(19)12-14-4-2-9-17-14/h5-8,14,17H,2-4,9-12H2,1H3,(H,18,19)
InChIKeyRQHWBPLBHCKJPN-UHFFFAOYSA-N
XLogP2.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.02
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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Related Compounds

N-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119734952
N-[2-(3,4-difluorophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119778380
N-[3-(4-methylphenoxy)propyl]piperidine-2-carboxamide
CID 119308262
N-[3-(4-chloro-2-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119748101
N-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119776242
N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119266831
N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371395
N-(3-propan-2-yloxypropyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119677888
N-[4-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61366412
N-[3-(2-phenylethoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119739702
N-[3-(2-methylpropoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119693624
N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119757253

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[3-(4-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide (CID 119757273) is N-[3-(4-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[3-(4-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[3-(4-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide is Cc1ccc(OCCCNC(=O)CC2CCCN2)cc1.
What is the InChIKey of N-[3-(4-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is RQHWBPLBHCKJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-5-7-15(8-6-13)20-11-3-10-18-16(19)12-14-4-2-9-17-14/h5-8,14,17H,2-4,9-12H2,1H3,(H,18,19).
What are the key properties of N-[3-(4-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide?
N-[3-(4-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 276.38 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119757273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).