N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(3-phenylpropyl)oxamide

C25H34N4O2 — CID 7639481

IUPACN'-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(3-phenylpropyl)oxamide
SMILESCN(C)c1ccc([C@H](CNC(=O)C(=O)NCCCc2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C25H34N4O2/c1-28(2)22-14-12-21(13-15-22)23(29-17-6-7-18-29)19-27-25(31)24(30)26-16-8-11-20-9-4-3-5-10-20/h3-5,9-10,12-15,23H,6-8,11,16-19H2,1-2H3,(H,26,30)(H,27,31)/t23-/m0/s1
InChIKeyLPWOVSAICJCAPP-QHCPKHFHSA-N
MW422.57 g/mol
LogP2.75
Rot. Bonds9

About N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(3-phenylpropyl)oxamide

N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(3-phenylpropyl)oxamide (PubChem CID 7639481) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(3-phenylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(3-phenylpropyl)oxamide
PubChem CID7639481
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC NameN'-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(3-phenylpropyl)oxamide
SMILESCN(C)c1ccc([C@H](CNC(=O)C(=O)NCCCc2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C25H34N4O2/c1-28(2)22-14-12-21(13-15-22)23(29-17-6-7-18-29)19-27-25(31)24(30)26-16-8-11-20-9-4-3-5-10-20/h3-5,9-10,12-15,23H,6-8,11,16-19H2,1-2H3,(H,26,30)(H,27,31)/t23-/m0/s1
InChIKeyLPWOVSAICJCAPP-QHCPKHFHSA-N
XLogP2.75
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(2-phenylethyl)oxamide
CID 18583589
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide
CID 7645008
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(3-methylbutyl)oxamide
CID 7639439
N-benzyl-N'-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 43996755
N'-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-N-propyloxamide
CID 18583716
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 42109135
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-[(3-methoxyphenyl)methyl]oxamide
CID 7639545
N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-N'-phenyloxamide
CID 43996738
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(2,3-dimethylphenyl)oxamide
CID 18583606
N'-(3-acetamidophenyl)-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]oxamide
CID 41398247
N'-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(dimethylamino)phenyl]ethyl]-N-(3-hydroxypropyl)oxamide
CID 7645538
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-methoxyacetamide
CID 7496422

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(3-phenylpropyl)oxamide?
The IUPAC name of N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(3-phenylpropyl)oxamide (CID 7639481) is N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(3-phenylpropyl)oxamide.
What is the SMILES notation for N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(3-phenylpropyl)oxamide?
The canonical SMILES for N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(3-phenylpropyl)oxamide is CN(C)c1ccc([C@H](CNC(=O)C(=O)NCCCc2ccccc2)N2CCCC2)cc1.
What is the InChIKey of N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(3-phenylpropyl)oxamide?
The InChIKey is LPWOVSAICJCAPP-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-28(2)22-14-12-21(13-15-22)23(29-17-6-7-18-29)19-27-25(31)24(30)26-16-8-11-20-9-4-3-5-10-20/h3-5,9-10,12-15,23H,6-8,11,16-19H2,1-2H3,(H,26,30)(H,27,31)/t23-/m0/s1.
What are the key properties of N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(3-phenylpropyl)oxamide?
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(3-phenylpropyl)oxamide has a molecular weight of 422.57 g/mol, XLogP of 2.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(3-phenylpropyl)oxamide is sourced from PubChem (CID 7639481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).