3-(dimethylamino)-N-[2-[2-[2-[2-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide

About 3-(dimethylamino)-N-[2-[2-[2-[2-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide

3-(dimethylamino)-N-[2-[2-[2-[2-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 169225264) has the molecular formula C25H39N7O6 and a molecular weight of 533.63 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[2-[2-[2-[2-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name	3-(dimethylamino)-N-[2-[2-[2-[2-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
PubChem CID	169225264
Molecular Formula	C25H39N7O6
Molecular Weight	533.63 g/mol
Exact Mass	533.30
IUPAC Name	3-(dimethylamino)-N-[2-[2-[2-[2-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILES	CN(C)CCC(=O)NCCOCCOCCOCCOCCC(=O)NCc1ccc(-c2nncnn2)cc1
InChI	InChI=1S/C25H39N7O6/c1-32(2)10-7-23(33)26-9-12-36-14-16-38-18-17-37-15-13-35-11-8-24(34)27-19-21-3-5-22(6-4-21)25-30-28-20-29-31-25/h3-6,20H,7-19H2,1-2H3,(H,26,33)(H,27,34)
InChIKey	LTPOKVWNBIIUJZ-UHFFFAOYSA-N
XLogP	0.07
TPSA	149.92 Å²
H-Bond Donors	2
H-Bond Acceptors	11
Rotatable Bonds	21
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.63
LogP ≤ 5	0.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[2-[2-[2-[2-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?

The IUPAC name of 3-(dimethylamino)-N-[2-[2-[2-[2-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (CID 169225264) is 3-(dimethylamino)-N-[2-[2-[2-[2-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.

What is the SMILES notation for 3-(dimethylamino)-N-[2-[2-[2-[2-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?

The canonical SMILES for 3-(dimethylamino)-N-[2-[2-[2-[2-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is CN(C)CCC(=O)NCCOCCOCCOCCOCCC(=O)NCc1ccc(-c2nncnn2)cc1.

What is the InChIKey of 3-(dimethylamino)-N-[2-[2-[2-[2-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?

The InChIKey is LTPOKVWNBIIUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N7O6/c1-32(2)10-7-23(33)26-9-12-36-14-16-38-18-17-37-15-13-35-11-8-24(34)27-19-21-3-5-22(6-4-21)25-30-28-20-29-31-25/h3-6,20H,7-19H2,1-2H3,(H,26,33)(H,27,34).

What are the key properties of 3-(dimethylamino)-N-[2-[2-[2-[2-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?

3-(dimethylamino)-N-[2-[2-[2-[2-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 533.63 g/mol, XLogP of 0.07, 21 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(dimethylamino)-N-[2-[2-[2-[2-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 169225264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).