N-(2-methylpropyl)-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]acetyl]-4-(1-pyrrolidin-2-ylethoxy)pyrrolidine-2-carboxamide

About N-(2-methylpropyl)-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]acetyl]-4-(1-pyrrolidin-2-ylethoxy)pyrrolidine-2-carboxamide

N-(2-methylpropyl)-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]acetyl]-4-(1-pyrrolidin-2-ylethoxy)pyrrolidine-2-carboxamide (PubChem CID 161338755) has the molecular formula C26H50N4O6 and a molecular weight of 514.71 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]acetyl]-4-(1-pyrrolidin-2-ylethoxy)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name	N-(2-methylpropyl)-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]acetyl]-4-(1-pyrrolidin-2-ylethoxy)pyrrolidine-2-carboxamide
PubChem CID	161338755
Molecular Formula	C26H50N4O6
Molecular Weight	514.71 g/mol
Exact Mass	514.37
IUPAC Name	N-(2-methylpropyl)-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]acetyl]-4-(1-pyrrolidin-2-ylethoxy)pyrrolidine-2-carboxamide
SMILES	CC(C)CNC(=O)C1CC(OC(C)C2CCCN2)CN1C(=O)COCCOCCOCCNC(C)C
InChI	InChI=1S/C26H50N4O6/c1-19(2)16-29-26(32)24-15-22(36-21(5)23-7-6-8-28-23)17-30(24)25(31)18-35-14-13-34-12-11-33-10-9-27-20(3)4/h19-24,27-28H,6-18H2,1-5H3,(H,29,32)
InChIKey	VMJTUYFHPWRUAG-UHFFFAOYSA-N
XLogP	0.93
TPSA	110.39 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	18
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.71
LogP ≤ 5	0.93
H-Bond Donors ≤ 5	3
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-methylpropyl)-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]acetyl]-4-(1-pyrrolidin-2-ylethoxy)pyrrolidine-2-carboxamide?

The IUPAC name of N-(2-methylpropyl)-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]acetyl]-4-(1-pyrrolidin-2-ylethoxy)pyrrolidine-2-carboxamide (CID 161338755) is N-(2-methylpropyl)-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]acetyl]-4-(1-pyrrolidin-2-ylethoxy)pyrrolidine-2-carboxamide.

What is the SMILES notation for N-(2-methylpropyl)-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]acetyl]-4-(1-pyrrolidin-2-ylethoxy)pyrrolidine-2-carboxamide?

The canonical SMILES for N-(2-methylpropyl)-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]acetyl]-4-(1-pyrrolidin-2-ylethoxy)pyrrolidine-2-carboxamide is CC(C)CNC(=O)C1CC(OC(C)C2CCCN2)CN1C(=O)COCCOCCOCCNC(C)C.

What is the InChIKey of N-(2-methylpropyl)-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]acetyl]-4-(1-pyrrolidin-2-ylethoxy)pyrrolidine-2-carboxamide?

The InChIKey is VMJTUYFHPWRUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N4O6/c1-19(2)16-29-26(32)24-15-22(36-21(5)23-7-6-8-28-23)17-30(24)25(31)18-35-14-13-34-12-11-33-10-9-27-20(3)4/h19-24,27-28H,6-18H2,1-5H3,(H,29,32).

What are the key properties of N-(2-methylpropyl)-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]acetyl]-4-(1-pyrrolidin-2-ylethoxy)pyrrolidine-2-carboxamide?

N-(2-methylpropyl)-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]acetyl]-4-(1-pyrrolidin-2-ylethoxy)pyrrolidine-2-carboxamide has a molecular weight of 514.71 g/mol, XLogP of 0.93, 18 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylpropyl)-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]acetyl]-4-(1-pyrrolidin-2-ylethoxy)pyrrolidine-2-carboxamide is sourced from PubChem (CID 161338755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).