N-(2-phenylmethoxyethyl)-2-[(3R)-pyrrolidin-3-yl]acetamide

C15H22N2O2 — CID 99624808

IUPACN-(2-phenylmethoxyethyl)-2-[(3R)-pyrrolidin-3-yl]acetamide
SMILESO=C(C[C@H]1CCNC1)NCCOCc1ccccc1
InChIInChI=1S/C15H22N2O2/c18-15(10-14-6-7-16-11-14)17-8-9-19-12-13-4-2-1-3-5-13/h1-5,14,16H,6-12H2,(H,17,18)/t14-/m1/s1
InChIKeyDMAONXYHKNAZMD-CQSZACIVSA-N
MW262.35 g/mol
LogP1.32
Rot. Bonds7

About N-(2-phenylmethoxyethyl)-2-[(3R)-pyrrolidin-3-yl]acetamide

N-(2-phenylmethoxyethyl)-2-[(3R)-pyrrolidin-3-yl]acetamide (PubChem CID 99624808) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(2-phenylmethoxyethyl)-2-[(3R)-pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-phenylmethoxyethyl)-2-[(3R)-pyrrolidin-3-yl]acetamide
PubChem CID99624808
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(2-phenylmethoxyethyl)-2-[(3R)-pyrrolidin-3-yl]acetamide
SMILESO=C(C[C@H]1CCNC1)NCCOCc1ccccc1
InChIInChI=1S/C15H22N2O2/c18-15(10-14-6-7-16-11-14)17-8-9-19-12-13-4-2-1-3-5-13/h1-5,14,16H,6-12H2,(H,17,18)/t14-/m1/s1
InChIKeyDMAONXYHKNAZMD-CQSZACIVSA-N
XLogP1.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.32
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-(4-benzylphenoxy)ethyl]-2-pyrrolidin-3-ylacetamide
CID 67648354
N-(2-phenylmethoxyethyl)piperidine-4-carboxamide
CID 89441554
3-phenylmethoxy-N-(piperidin-3-ylmethyl)propanamide
CID 119461064
N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62690707
N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119770174
N-(3-phenylpropyl)-2-piperidin-4-ylacetamide
CID 60905850
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
benzyl N-[2-[(3S)-pyrrolidin-3-yl]ethyl]carbamate
CID 97170433
2-(azetidin-3-yl)-N-(2-phenoxyethyl)acetamide
CID 64609991
N-(2-phenylmethoxyethyl)-4-[(3S)-piperidin-3-yl]benzamide
CID 99928855
N-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 58032857
N-(cyclopropylmethyl)-2-phenylmethoxyethanamine
CID 62566316

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylmethoxyethyl)-2-[(3R)-pyrrolidin-3-yl]acetamide?
The IUPAC name of N-(2-phenylmethoxyethyl)-2-[(3R)-pyrrolidin-3-yl]acetamide (CID 99624808) is N-(2-phenylmethoxyethyl)-2-[(3R)-pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-(2-phenylmethoxyethyl)-2-[(3R)-pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-(2-phenylmethoxyethyl)-2-[(3R)-pyrrolidin-3-yl]acetamide is O=C(C[C@H]1CCNC1)NCCOCc1ccccc1.
What is the InChIKey of N-(2-phenylmethoxyethyl)-2-[(3R)-pyrrolidin-3-yl]acetamide?
The InChIKey is DMAONXYHKNAZMD-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-15(10-14-6-7-16-11-14)17-8-9-19-12-13-4-2-1-3-5-13/h1-5,14,16H,6-12H2,(H,17,18)/t14-/m1/s1.
What are the key properties of N-(2-phenylmethoxyethyl)-2-[(3R)-pyrrolidin-3-yl]acetamide?
N-(2-phenylmethoxyethyl)-2-[(3R)-pyrrolidin-3-yl]acetamide has a molecular weight of 262.35 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylmethoxyethyl)-2-[(3R)-pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 99624808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).