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

C20H29N3O2 — CID 16892053

IUPACN'-cyclopentyl-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
SMILESO=C(NCCCc1ccc(N2CCCC2)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C20H29N3O2/c24-19(20(25)22-17-7-1-2-8-17)21-13-5-6-16-9-11-18(12-10-16)23-14-3-4-15-23/h9-12,17H,1-8,13-15H2,(H,21,24)(H,22,25)
InChIKeyNIDWPDZMWFALLT-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.39
Rot. Bonds6

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

N'-cyclopentyl-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide (PubChem CID 16892053) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N'-cyclopentyl-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
PubChem CID16892053
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN'-cyclopentyl-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
SMILESO=C(NCCCc1ccc(N2CCCC2)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C20H29N3O2/c24-19(20(25)22-17-7-1-2-8-17)21-13-5-6-16-9-11-18(12-10-16)23-14-3-4-15-23/h9-12,17H,1-8,13-15H2,(H,21,24)(H,22,25)
InChIKeyNIDWPDZMWFALLT-UHFFFAOYSA-N
XLogP2.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.39
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-cyclopentyl-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]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'-cyclopropyl-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892366
N'-cyclopentyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide
CID 16892223
N'-cyclopentyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891637
N'-[(4-methoxyphenyl)methyl]-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
CID 16892077
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,6-dimethylphenyl)oxamide
CID 16891945
N'-cyclopropyl-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
CID 16892026
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2-chlorophenyl)oxamide
CID 16891953
N'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 108517458
N-[3-(4-piperidin-1-ylphenyl)propyl]benzamide
CID 16890191
N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide
CID 16889785
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(3,4-dimethylphenyl)oxamide
CID 16891955
N'-(2-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892338

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide (CID 16892053) is N'-cyclopentyl-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide is O=C(NCCCc1ccc(N2CCCC2)cc1)C(=O)NC1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide?
The InChIKey is NIDWPDZMWFALLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19(20(25)22-17-7-1-2-8-17)21-13-5-6-16-9-11-18(12-10-16)23-14-3-4-15-23/h9-12,17H,1-8,13-15H2,(H,21,24)(H,22,25).
What are the key properties of N'-cyclopentyl-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide?
N'-cyclopentyl-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide has a molecular weight of 343.47 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide is sourced from PubChem (CID 16892053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).