N'-cyclopentyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide

C19H27N3O3 — CID 16891637

IUPACN'-cyclopentyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
SMILESO=C(NCCc1ccc(N2CCOCC2)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C19H27N3O3/c23-18(19(24)21-16-3-1-2-4-16)20-10-9-15-5-7-17(8-6-15)22-11-13-25-14-12-22/h5-8,16H,1-4,9-14H2,(H,20,23)(H,21,24)
InChIKeyOWKUIIKDBXNLOX-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.24
Rot. Bonds5

About N'-cyclopentyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide

N'-cyclopentyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide (PubChem CID 16891637) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N'-cyclopentyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
PubChem CID16891637
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN'-cyclopentyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
SMILESO=C(NCCc1ccc(N2CCOCC2)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C19H27N3O3/c23-18(19(24)21-16-3-1-2-4-16)20-10-9-15-5-7-17(8-6-15)22-11-13-25-14-12-22/h5-8,16H,1-4,9-14H2,(H,20,23)(H,21,24)
InChIKeyOWKUIIKDBXNLOX-UHFFFAOYSA-N
XLogP1.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.24
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'-cyclopentyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide
CID 16892223
N'-cyclopentyl-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
CID 16892053
N'-cyclopropyl-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892366
N'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 108517458
N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891636
N-cyclopropyl-3-(4-morpholin-4-ylphenyl)propanamide
CID 110647271
N'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503179
1,1-dimethyl-3-[2-(4-morpholin-4-ylphenyl)ethyl]urea
CID 110405022
N'-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891703
N-[2-(4-chlorophenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110412816
N'-(2-morpholin-4-ylethyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892160
N'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891641

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide (CID 16891637) is N'-cyclopentyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide is O=C(NCCc1ccc(N2CCOCC2)cc1)C(=O)NC1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide?
The InChIKey is OWKUIIKDBXNLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-18(19(24)21-16-3-1-2-4-16)20-10-9-15-5-7-17(8-6-15)22-11-13-25-14-12-22/h5-8,16H,1-4,9-14H2,(H,20,23)(H,21,24).
What are the key properties of N'-cyclopentyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide?
N'-cyclopentyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide has a molecular weight of 345.44 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide is sourced from PubChem (CID 16891637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).