N-[4-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]butyl]-4-tributylstannylbenzamide

C35H56N2O2Sn — CID 18396648

About N-[4-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]butyl]-4-tributylstannylbenzamide

N-[4-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]butyl]-4-tributylstannylbenzamide (PubChem CID 18396648) has the molecular formula C35H56N2O2Sn and a molecular weight of 655.56 g/mol. Its IUPAC name is N-[4-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]butyl]-4-tributylstannylbenzamide.

Molecular Properties

• Compound Name: N-[4-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]butyl]-4-tributylstannylbenzamide
• PubChem CID: 18396648
• Molecular Formula: C35H56N2O2Sn
• Molecular Weight: 655.56 g/mol
• Exact Mass: 656.34
• IUPAC Name: N-[4-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]butyl]-4-tributylstannylbenzamide
• SMILES: CCCC[Sn](CCCC)(CCCC)c1ccc(C(=O)NCCCCN(C)[C@@H]2CCc3ccc(OC)cc3C2)cc1
• InChI: InChI=1S/C23H29N2O2.3C4H9.Sn/c1-25(15-7-6-14-24-23(26)19-8-4-3-5-9-19)21-12-10-18-11-13-22(27-2)17-20(18)16-21;3*1-3-4-2;/h4-5,8-9,11,13,17,21H,6-7,10,12,14-16H2,1-2H3,(H,24,26);3*1,3-4H2,2H3;/t21-;;;;/m1..../s1
• InChIKey: UFVWTERFVLKLII-YRTCJPGSSA-N
• XLogP: 7.75
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 18
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.56
LogP ≤ 5	7.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]butyl]-4-tributylstannylbenzamide?

The IUPAC name of N-[4-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]butyl]-4-tributylstannylbenzamide (CID 18396648) is N-[4-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]butyl]-4-tributylstannylbenzamide.

What is the SMILES notation for N-[4-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]butyl]-4-tributylstannylbenzamide?

The canonical SMILES for N-[4-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]butyl]-4-tributylstannylbenzamide is CCCC[Sn](CCCC)(CCCC)c1ccc(C(=O)NCCCCN(C)[C@@H]2CCc3ccc(OC)cc3C2)cc1.

What is the InChIKey of N-[4-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]butyl]-4-tributylstannylbenzamide?

The InChIKey is UFVWTERFVLKLII-YRTCJPGSSA-N. The full InChI is InChI=1S/C23H29N2O2.3C4H9.Sn/c1-25(15-7-6-14-24-23(26)19-8-4-3-5-9-19)21-12-10-18-11-13-22(27-2)17-20(18)16-21;3*1-3-4-2;/h4-5,8-9,11,13,17,21H,6-7,10,12,14-16H2,1-2H3,(H,24,26);3*1,3-4H2,2H3;/t21-;;;;/m1..../s1.

What are the key properties of N-[4-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]butyl]-4-tributylstannylbenzamide?

N-[4-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]butyl]-4-tributylstannylbenzamide has a molecular weight of 655.56 g/mol, XLogP of 7.75, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]butyl]-4-tributylstannylbenzamide is sourced from PubChem (CID 18396648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).