N'-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(2-phenylethyl)oxamide

C24H32N4O2 — CID 18583589

IUPACN'-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(2-phenylethyl)oxamide
SMILESCN(C)c1ccc(C(CNC(=O)C(=O)NCCc2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C24H32N4O2/c1-27(2)21-12-10-20(11-13-21)22(28-16-6-7-17-28)18-26-24(30)23(29)25-15-14-19-8-4-3-5-9-19/h3-5,8-13,22H,6-7,14-18H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyNHMIGTXTZORDAJ-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.36
Rot. Bonds8

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

N'-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(2-phenylethyl)oxamide (PubChem CID 18583589) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N'-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(2-phenylethyl)oxamide
PubChem CID18583589
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN'-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(2-phenylethyl)oxamide
SMILESCN(C)c1ccc(C(CNC(=O)C(=O)NCCc2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C24H32N4O2/c1-27(2)21-12-10-20(11-13-21)22(28-16-6-7-17-28)18-26-24(30)23(29)25-15-14-19-8-4-3-5-9-19/h3-5,8-13,22H,6-7,14-18H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyNHMIGTXTZORDAJ-UHFFFAOYSA-N
XLogP2.36
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.36
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': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(2-phenylethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(3-phenylpropyl)oxamide
CID 7639481
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
1-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 43956384
N-(2-phenylethyl)-N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848792
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-[(3-methoxyphenyl)methyl]oxamide
CID 7639545
N'-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 43996700
N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-N'-phenyloxamide
CID 43996738
N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide
CID 30835257
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(2,3-dimethylphenyl)oxamide
CID 18583606

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(2-phenylethyl)oxamide (CID 18583589) is N'-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(2-phenylethyl)oxamide is CN(C)c1ccc(C(CNC(=O)C(=O)NCCc2ccccc2)N2CCCC2)cc1.
What is the InChIKey of N'-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(2-phenylethyl)oxamide?
The InChIKey is NHMIGTXTZORDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-27(2)21-12-10-20(11-13-21)22(28-16-6-7-17-28)18-26-24(30)23(29)25-15-14-19-8-4-3-5-9-19/h3-5,8-13,22H,6-7,14-18H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of N'-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(2-phenylethyl)oxamide?
N'-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(2-phenylethyl)oxamide has a molecular weight of 408.55 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(2-phenylethyl)oxamide is sourced from PubChem (CID 18583589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).