N'-(3,4-dimethoxyphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide

C23H29N3O4 — CID 16892103

IUPACN'-(3,4-dimethoxyphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCCCc2ccc(N3CCCC3)cc2)cc1OC
InChIInChI=1S/C23H29N3O4/c1-29-20-12-9-18(16-21(20)30-2)25-23(28)22(27)24-13-5-6-17-7-10-19(11-8-17)26-14-3-4-15-26/h7-12,16H,3-6,13-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyRMQAMEADOWFNLL-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.99
Rot. Bonds8

About N'-(3,4-dimethoxyphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide

N'-(3,4-dimethoxyphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide (PubChem CID 16892103) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N'-(3,4-dimethoxyphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide.

Molecular Properties

Compound NameN'-(3,4-dimethoxyphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
PubChem CID16892103
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN'-(3,4-dimethoxyphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCCCc2ccc(N3CCCC3)cc2)cc1OC
InChIInChI=1S/C23H29N3O4/c1-29-20-12-9-18(16-21(20)30-2)25-23(28)22(27)24-13-5-6-17-7-10-19(11-8-17)26-14-3-4-15-26/h7-12,16H,3-6,13-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyRMQAMEADOWFNLL-UHFFFAOYSA-N
XLogP2.99
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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'-(3,4-dimethoxyphenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide
CID 16891849
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(3,4-dimethylphenyl)oxamide
CID 16891955
N'-(3,4-dimethoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891687
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 16891910
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108506267
N'-(3-chloro-4-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892340
N'-(3-chlorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892318
N'-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585270
N'-[(4-methoxyphenyl)methyl]-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
CID 16892077
N'-(3,4-dimethoxyphenyl)-N-(3-hydroxypropyl)oxamide
CID 5210710
N'-(3-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892181
N'-(2-methoxy-5-methylphenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide
CID 16892238

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethoxyphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide?
The IUPAC name of N'-(3,4-dimethoxyphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide (CID 16892103) is N'-(3,4-dimethoxyphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide.
What is the SMILES notation for N'-(3,4-dimethoxyphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide?
The canonical SMILES for N'-(3,4-dimethoxyphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide is COc1ccc(NC(=O)C(=O)NCCCc2ccc(N3CCCC3)cc2)cc1OC.
What is the InChIKey of N'-(3,4-dimethoxyphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide?
The InChIKey is RMQAMEADOWFNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-29-20-12-9-18(16-21(20)30-2)25-23(28)22(27)24-13-5-6-17-7-10-19(11-8-17)26-14-3-4-15-26/h7-12,16H,3-6,13-15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N'-(3,4-dimethoxyphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide?
N'-(3,4-dimethoxyphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide has a molecular weight of 411.50 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethoxyphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide is sourced from PubChem (CID 16892103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).