2-amino-2-phenyl-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone

C21H26N2O2 — CID 119341905

IUPAC2-amino-2-phenyl-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
SMILESNC(C(=O)N1CCC(OCCCc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c22-20(18-11-5-2-6-12-18)21(24)23-14-13-19(16-23)25-15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-12,19-20H,7,10,13-16,22H2
InChIKeyMUQDXHDNJRCHRK-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.94
Rot. Bonds7

About 2-amino-2-phenyl-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone

2-amino-2-phenyl-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone (PubChem CID 119341905) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-amino-2-phenyl-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-2-phenyl-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
PubChem CID119341905
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-amino-2-phenyl-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
SMILESNC(C(=O)N1CCC(OCCCc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c22-20(18-11-5-2-6-12-18)21(24)23-14-13-19(16-23)25-15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-12,19-20H,7,10,13-16,22H2
InChIKeyMUQDXHDNJRCHRK-UHFFFAOYSA-N
XLogP2.94
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.94
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-(methylamino)-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 119815560
(1-aminocyclopropyl)-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119815537
4-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]benzamide
CID 119152144
2-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977041
furan-2-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 71860926
2-[1-(hydroxymethyl)cyclopropyl]-1-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 97015364
4-[[[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020316
furan-3-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 71976252
2-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]acetamide
CID 96558813
(1-methoxycyclopentyl)-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 166225739
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-2-phenylethanone
CID 61156075
(2S)-2-amino-1-[4-(2-phenylethoxy)piperidin-1-yl]propan-1-one
CID 119299189

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-amino-2-phenyl-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone (CID 119341905) is 2-amino-2-phenyl-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-2-phenyl-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-amino-2-phenyl-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone is NC(C(=O)N1CCC(OCCCc2ccccc2)C1)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone?
The InChIKey is MUQDXHDNJRCHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c22-20(18-11-5-2-6-12-18)21(24)23-14-13-19(16-23)25-15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-12,19-20H,7,10,13-16,22H2.
What are the key properties of 2-amino-2-phenyl-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone?
2-amino-2-phenyl-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone has a molecular weight of 338.45 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 119341905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).