N'-(1-phenylethyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide

C22H27N3O2 — CID 16891599

IUPACN'-(1-phenylethyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
SMILESCC(NC(=O)C(=O)NCCc1ccc(N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-17(19-7-3-2-4-8-19)24-22(27)21(26)23-14-13-18-9-11-20(12-10-18)25-15-5-6-16-25/h2-4,7-12,17H,5-6,13-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyMFXSBCCDQPAMHG-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.82
Rot. Bonds6

About N'-(1-phenylethyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide

N'-(1-phenylethyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide (PubChem CID 16891599) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N'-(1-phenylethyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(1-phenylethyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
PubChem CID16891599
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN'-(1-phenylethyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
SMILESCC(NC(=O)C(=O)NCCc1ccc(N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-17(19-7-3-2-4-8-19)24-22(27)21(26)23-14-13-18-9-11-20(12-10-18)25-15-5-6-16-25/h2-4,7-12,17H,5-6,13-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyMFXSBCCDQPAMHG-UHFFFAOYSA-N
XLogP2.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide
CID 2249935
N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 30126571
2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide
CID 16889525
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 42269040
3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]butanamide
CID 110404917
N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109020180
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-N'-(2-chlorophenyl)oxamide
CID 16891452
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 42109135
N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide
CID 108507932
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-N'-(2-phenylethyl)oxamide
CID 16891850
N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113108912
4-[2-oxo-2-[1-(4-piperidin-1-ylphenyl)ethylamino]ethyl]benzoic acid
CID 10570930

Frequently Asked Questions

What is the IUPAC name of N'-(1-phenylethyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide?
The IUPAC name of N'-(1-phenylethyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide (CID 16891599) is N'-(1-phenylethyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(1-phenylethyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide?
The canonical SMILES for N'-(1-phenylethyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide is CC(NC(=O)C(=O)NCCc1ccc(N2CCCC2)cc1)c1ccccc1.
What is the InChIKey of N'-(1-phenylethyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide?
The InChIKey is MFXSBCCDQPAMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17(19-7-3-2-4-8-19)24-22(27)21(26)23-14-13-18-9-11-20(12-10-18)25-15-5-6-16-25/h2-4,7-12,17H,5-6,13-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-(1-phenylethyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide?
N'-(1-phenylethyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide has a molecular weight of 365.48 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-phenylethyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide is sourced from PubChem (CID 16891599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).