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

C22H27N3O3 — CID 16891570

IUPACN'-(4-ethoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCCc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C22H27N3O3/c1-2-28-20-11-7-18(8-12-20)24-22(27)21(26)23-14-13-17-5-9-19(10-6-17)25-15-3-4-16-25/h5-12H,2-4,13-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyUUGFDPFHFAYWIN-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.98
Rot. Bonds7

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

N'-(4-ethoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide (PubChem CID 16891570) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
PubChem CID16891570
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN'-(4-ethoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCCc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C22H27N3O3/c1-2-28-20-11-7-18(8-12-20)24-22(27)21(26)23-14-13-17-5-9-19(10-6-17)25-15-3-4-16-25/h5-12H,2-4,13-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyUUGFDPFHFAYWIN-UHFFFAOYSA-N
XLogP2.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108985822
N'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891641
N'-(4-ethoxyphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30127311
N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47226004
2-(4-ethoxyphenyl)-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]acetamide
CID 110601075
N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108505148
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(4-ethoxyphenyl)oxamide
CID 42389794
(E)-3-(4-ethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 38691544
N'-(3-chlorophenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891562
N-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108985263
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(3,4-dimethylphenyl)oxamide
CID 16891955
N'-(3,4-dimethoxyphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
CID 16892103

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide?
The IUPAC name of N'-(4-ethoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide (CID 16891570) is N'-(4-ethoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(4-ethoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide?
The canonical SMILES for N'-(4-ethoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide is CCOc1ccc(NC(=O)C(=O)NCCc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide?
The InChIKey is UUGFDPFHFAYWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-2-28-20-11-7-18(8-12-20)24-22(27)21(26)23-14-13-17-5-9-19(10-6-17)25-15-3-4-16-25/h5-12H,2-4,13-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-(4-ethoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide?
N'-(4-ethoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide has a molecular weight of 381.48 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide is sourced from PubChem (CID 16891570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).