N-benzyl-N-(2-tributylstannylprop-2-enyl)benzamide

C29H43NOSn — CID 25267872

IUPACN-benzyl-N-(2-tributylstannylprop-2-enyl)benzamide
SMILESC=C(CN(Cc1ccccc1)C(=O)c1ccccc1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C17H16NO.3C4H9.Sn/c1-2-13-18(14-15-9-5-3-6-10-15)17(19)16-11-7-4-8-12-16;3*1-3-4-2;/h3-12H,1,13-14H2;3*1,3-4H2,2H3;
InChIKeySYKJCPWMYOEGNH-UHFFFAOYSA-N
MW540.38 g/mol
LogP8.27
Rot. Bonds15

About N-benzyl-N-(2-tributylstannylprop-2-enyl)benzamide

N-benzyl-N-(2-tributylstannylprop-2-enyl)benzamide (PubChem CID 25267872) has the molecular formula C29H43NOSn and a molecular weight of 540.38 g/mol. Its IUPAC name is N-benzyl-N-(2-tributylstannylprop-2-enyl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-(2-tributylstannylprop-2-enyl)benzamide
PubChem CID25267872
Molecular FormulaC29H43NOSn
Molecular Weight540.38 g/mol
Exact Mass541.24
IUPAC NameN-benzyl-N-(2-tributylstannylprop-2-enyl)benzamide
SMILESC=C(CN(Cc1ccccc1)C(=O)c1ccccc1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C17H16NO.3C4H9.Sn/c1-2-13-18(14-15-9-5-3-6-10-15)17(19)16-11-7-4-8-12-16;3*1-3-4-2;/h3-12H,1,13-14H2;3*1,3-4H2,2H3;
InChIKeySYKJCPWMYOEGNH-UHFFFAOYSA-N
XLogP8.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.38
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-2-iodo-N-(2-tributylstannylprop-2-enyl)benzamide
CID 25268227
(2S)-2-[[2-[benzoyl(benzyl)amino]acetyl]amino]propanoic acid
CID 157056155
N-benzyl-N-dodecyl-2-methylprop-2-enamide
CID 141486609
N-benzyl-N-butylpropanamide
CID 12502571
3-[benzyl(ethyl)carbamoyl]benzoic acid
CID 43452784
N-benzyl-N-ethyl-4-(propanoylamino)benzamide
CID 17257316
4-(dibenzylcarbamoyl)benzoic acid
CID 67563328
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
N-benzyl-N-ethyl-3-(propanoylamino)benzamide
CID 17309573
3-[benzoyl(benzyl)amino]-2-methylpropanoic acid
CID 82324559
N-butyl-N-(2-chloroethyl)benzamide
CID 63390876
N-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide
CID 78781600

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-tributylstannylprop-2-enyl)benzamide?
The IUPAC name of N-benzyl-N-(2-tributylstannylprop-2-enyl)benzamide (CID 25267872) is N-benzyl-N-(2-tributylstannylprop-2-enyl)benzamide.
What is the SMILES notation for N-benzyl-N-(2-tributylstannylprop-2-enyl)benzamide?
The canonical SMILES for N-benzyl-N-(2-tributylstannylprop-2-enyl)benzamide is C=C(CN(Cc1ccccc1)C(=O)c1ccccc1)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of N-benzyl-N-(2-tributylstannylprop-2-enyl)benzamide?
The InChIKey is SYKJCPWMYOEGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16NO.3C4H9.Sn/c1-2-13-18(14-15-9-5-3-6-10-15)17(19)16-11-7-4-8-12-16;3*1-3-4-2;/h3-12H,1,13-14H2;3*1,3-4H2,2H3;.
What are the key properties of N-benzyl-N-(2-tributylstannylprop-2-enyl)benzamide?
N-benzyl-N-(2-tributylstannylprop-2-enyl)benzamide has a molecular weight of 540.38 g/mol, XLogP of 8.27, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-tributylstannylprop-2-enyl)benzamide is sourced from PubChem (CID 25267872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).