N,N-dimethyl-3-tributylstannylbenzamide

C21H37NOSn — CID 22420961

IUPACN,N-dimethyl-3-tributylstannylbenzamide
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C9H10NO.3C4H9.Sn/c1-10(2)9(11)8-6-4-3-5-7-8;3*1-3-4-2;/h3-4,6-7H,1-2H3;3*1,3-4H2,2H3;
InChIKeyQGSYIYMWIFUHCV-UHFFFAOYSA-N
MW438.24 g/mol
LogP5.44
Rot. Bonds11

About N,N-dimethyl-3-tributylstannylbenzamide

N,N-dimethyl-3-tributylstannylbenzamide (PubChem CID 22420961) has the molecular formula C21H37NOSn and a molecular weight of 438.24 g/mol. Its IUPAC name is N,N-dimethyl-3-tributylstannylbenzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-tributylstannylbenzamide
PubChem CID22420961
Molecular FormulaC21H37NOSn
Molecular Weight438.24 g/mol
Exact Mass439.19
IUPAC NameN,N-dimethyl-3-tributylstannylbenzamide
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C9H10NO.3C4H9.Sn/c1-10(2)9(11)8-6-4-3-5-7-8;3*1-3-4-2;/h3-4,6-7H,1-2H3;3*1,3-4H2,2H3;
InChIKeyQGSYIYMWIFUHCV-UHFFFAOYSA-N
XLogP5.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.24
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-tributylstannylbenzamide?
The IUPAC name of N,N-dimethyl-3-tributylstannylbenzamide (CID 22420961) is N,N-dimethyl-3-tributylstannylbenzamide.
What is the SMILES notation for N,N-dimethyl-3-tributylstannylbenzamide?
The canonical SMILES for N,N-dimethyl-3-tributylstannylbenzamide is CCCC[Sn](CCCC)(CCCC)c1cccc(C(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-tributylstannylbenzamide?
The InChIKey is QGSYIYMWIFUHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO.3C4H9.Sn/c1-10(2)9(11)8-6-4-3-5-7-8;3*1-3-4-2;/h3-4,6-7H,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of N,N-dimethyl-3-tributylstannylbenzamide?
N,N-dimethyl-3-tributylstannylbenzamide has a molecular weight of 438.24 g/mol, XLogP of 5.44, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-tributylstannylbenzamide is sourced from PubChem (CID 22420961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).