N-cyclohexyl-2-[2-[2-[cyclohexyl(pyridin-2-yl)amino]-2-oxoethoxy]ethoxy]-N-pyridin-2-ylacetamide

C28H38N4O4 — CID 2998829

IUPACN-cyclohexyl-2-[2-[2-[cyclohexyl(pyridin-2-yl)amino]-2-oxoethoxy]ethoxy]-N-pyridin-2-ylacetamide
SMILESO=C(COCCOCC(=O)N(c1ccccn1)C1CCCCC1)N(c1ccccn1)C1CCCCC1
InChIInChI=1S/C28H38N4O4/c33-27(31(23-11-3-1-4-12-23)25-15-7-9-17-29-25)21-35-19-20-36-22-28(34)32(24-13-5-2-6-14-24)26-16-8-10-18-30-26/h7-10,15-18,23-24H,1-6,11-14,19-22H2
InChIKeyNXGBAEJEVKIFRS-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.54
Rot. Bonds11

About N-cyclohexyl-2-[2-[2-[cyclohexyl(pyridin-2-yl)amino]-2-oxoethoxy]ethoxy]-N-pyridin-2-ylacetamide

N-cyclohexyl-2-[2-[2-[cyclohexyl(pyridin-2-yl)amino]-2-oxoethoxy]ethoxy]-N-pyridin-2-ylacetamide (PubChem CID 2998829) has the molecular formula C28H38N4O4 and a molecular weight of 494.64 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-[2-[cyclohexyl(pyridin-2-yl)amino]-2-oxoethoxy]ethoxy]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-[2-[cyclohexyl(pyridin-2-yl)amino]-2-oxoethoxy]ethoxy]-N-pyridin-2-ylacetamide
PubChem CID2998829
Molecular FormulaC28H38N4O4
Molecular Weight494.64 g/mol
Exact Mass494.29
IUPAC NameN-cyclohexyl-2-[2-[2-[cyclohexyl(pyridin-2-yl)amino]-2-oxoethoxy]ethoxy]-N-pyridin-2-ylacetamide
SMILESO=C(COCCOCC(=O)N(c1ccccn1)C1CCCCC1)N(c1ccccn1)C1CCCCC1
InChIInChI=1S/C28H38N4O4/c33-27(31(23-11-3-1-4-12-23)25-15-7-9-17-29-25)21-35-19-20-36-22-28(34)32(24-13-5-2-6-14-24)26-16-8-10-18-30-26/h7-10,15-18,23-24H,1-6,11-14,19-22H2
InChIKeyNXGBAEJEVKIFRS-UHFFFAOYSA-N
XLogP4.54
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-[2-[cyclohexyl(pyridin-2-yl)amino]-2-oxoethoxy]ethoxy]-N-pyridin-2-ylacetamide?
The IUPAC name of N-cyclohexyl-2-[2-[2-[cyclohexyl(pyridin-2-yl)amino]-2-oxoethoxy]ethoxy]-N-pyridin-2-ylacetamide (CID 2998829) is N-cyclohexyl-2-[2-[2-[cyclohexyl(pyridin-2-yl)amino]-2-oxoethoxy]ethoxy]-N-pyridin-2-ylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-[2-[cyclohexyl(pyridin-2-yl)amino]-2-oxoethoxy]ethoxy]-N-pyridin-2-ylacetamide?
The canonical SMILES for N-cyclohexyl-2-[2-[2-[cyclohexyl(pyridin-2-yl)amino]-2-oxoethoxy]ethoxy]-N-pyridin-2-ylacetamide is O=C(COCCOCC(=O)N(c1ccccn1)C1CCCCC1)N(c1ccccn1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-[2-[cyclohexyl(pyridin-2-yl)amino]-2-oxoethoxy]ethoxy]-N-pyridin-2-ylacetamide?
The InChIKey is NXGBAEJEVKIFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O4/c33-27(31(23-11-3-1-4-12-23)25-15-7-9-17-29-25)21-35-19-20-36-22-28(34)32(24-13-5-2-6-14-24)26-16-8-10-18-30-26/h7-10,15-18,23-24H,1-6,11-14,19-22H2.
What are the key properties of N-cyclohexyl-2-[2-[2-[cyclohexyl(pyridin-2-yl)amino]-2-oxoethoxy]ethoxy]-N-pyridin-2-ylacetamide?
N-cyclohexyl-2-[2-[2-[cyclohexyl(pyridin-2-yl)amino]-2-oxoethoxy]ethoxy]-N-pyridin-2-ylacetamide has a molecular weight of 494.64 g/mol, XLogP of 4.54, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-[2-[cyclohexyl(pyridin-2-yl)amino]-2-oxoethoxy]ethoxy]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 2998829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).