N-[2-[2-[2-[2-(2-cyclopentyl-4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide

About N-[2-[2-[2-[2-(2-cyclopentyl-4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide

N-[2-[2-[2-[2-(2-cyclopentyl-4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide (PubChem CID 158684524) has the molecular formula C26H50N6O5 and a molecular weight of 526.72 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(2-cyclopentyl-4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide.

Molecular Properties

Compound Name	N-[2-[2-[2-[2-(2-cyclopentyl-4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
PubChem CID	158684524
Molecular Formula	C26H50N6O5
Molecular Weight	526.72 g/mol
Exact Mass	526.38
IUPAC Name	N-[2-[2-[2-[2-(2-cyclopentyl-4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
SMILES	CC1CN(CCOCCOCCOCCNC(=O)CCCCC[C@H]2NC(=O)N[C@H]2C)N(C2CCCC2)N1
InChI	InChI=1S/C26H50N6O5/c1-21-20-31(32(30-21)23-8-6-7-9-23)13-15-36-17-19-37-18-16-35-14-12-27-25(33)11-5-3-4-10-24-22(2)28-26(34)29-24/h21-24,30H,3-20H2,1-2H3,(H,27,33)(H2,28,29,34)/t21?,22-,24+/m0/s1
InChIKey	IFOFPIHCMHALHR-ZBKSJXDOSA-N
XLogP	1.54
TPSA	116.43 Å²
H-Bond Donors	4
H-Bond Acceptors	8
Rotatable Bonds	19
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.72
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-(2-cyclopentyl-4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide?

The IUPAC name of N-[2-[2-[2-[2-(2-cyclopentyl-4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide (CID 158684524) is N-[2-[2-[2-[2-(2-cyclopentyl-4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide.

What is the SMILES notation for N-[2-[2-[2-[2-(2-cyclopentyl-4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide?

The canonical SMILES for N-[2-[2-[2-[2-(2-cyclopentyl-4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide is CC1CN(CCOCCOCCOCCNC(=O)CCCCC[C@H]2NC(=O)N[C@H]2C)N(C2CCCC2)N1.

What is the InChIKey of N-[2-[2-[2-[2-(2-cyclopentyl-4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide?

The InChIKey is IFOFPIHCMHALHR-ZBKSJXDOSA-N. The full InChI is InChI=1S/C26H50N6O5/c1-21-20-31(32(30-21)23-8-6-7-9-23)13-15-36-17-19-37-18-16-35-14-12-27-25(33)11-5-3-4-10-24-22(2)28-26(34)29-24/h21-24,30H,3-20H2,1-2H3,(H,27,33)(H2,28,29,34)/t21?,22-,24+/m0/s1.

What are the key properties of N-[2-[2-[2-[2-(2-cyclopentyl-4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide?

N-[2-[2-[2-[2-(2-cyclopentyl-4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide has a molecular weight of 526.72 g/mol, XLogP of 1.54, 19 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[2-(2-cyclopentyl-4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide is sourced from PubChem (CID 158684524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).