(E)-3-(4-methoxyphenyl)-2-tributylstannylprop-2-enamide

C22H37NO2Sn — CID 11178801

IUPAC(E)-3-(4-methoxyphenyl)-2-tributylstannylprop-2-enamide
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/c1ccc(OC)cc1)C(N)=O
InChIInChI=1S/C10H10NO2.3C4H9.Sn/c1-13-9-5-2-8(3-6-9)4-7-10(11)12;3*1-3-4-2;/h2-6H,1H3,(H2,11,12);3*1,3-4H2,2H3;
InChIKeyALJHHELYWUYHCF-UHFFFAOYSA-N
MW466.25 g/mol
LogP5.95
Rot. Bonds13

About (E)-3-(4-methoxyphenyl)-2-tributylstannylprop-2-enamide

(E)-3-(4-methoxyphenyl)-2-tributylstannylprop-2-enamide (PubChem CID 11178801) has the molecular formula C22H37NO2Sn and a molecular weight of 466.25 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-2-tributylstannylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-2-tributylstannylprop-2-enamide
PubChem CID11178801
Molecular FormulaC22H37NO2Sn
Molecular Weight466.25 g/mol
Exact Mass467.18
IUPAC Name(E)-3-(4-methoxyphenyl)-2-tributylstannylprop-2-enamide
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/c1ccc(OC)cc1)C(N)=O
InChIInChI=1S/C10H10NO2.3C4H9.Sn/c1-13-9-5-2-8(3-6-9)4-7-10(11)12;3*1-3-4-2;/h2-6H,1H3,(H2,11,12);3*1,3-4H2,2H3;
InChIKeyALJHHELYWUYHCF-UHFFFAOYSA-N
XLogP5.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.25
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(1,3-benzodioxol-5-yl)-2-tributylstannylprop-2-enamide
CID 131741744
3-[(4-methoxyphenyl)methylidene]octan-2-one
CID 68526901
tributyl-(4-methoxyphenyl)stannane
CID 2762547
2-methoxy-3-(4-methoxyphenyl)prop-2-enamide
CID 165349278
2-[(4-methoxyphenyl)methylidene]octanoic acid
CID 67426612
(E)-2,3-bis(4-methoxyphenyl)prop-2-enamide
CID 11358044
N-[dibutyl-[(4-methoxybenzoyl)amino]oxystannyl]oxy-4-methoxybenzamide
CID 16688892
butyl 3-(4-methoxyphenyl)prop-2-enoate
CID 53421003
butyl (E)-3-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enoate
CID 56950890
decyl 2-cyano-3-(4-methoxyphenyl)prop-2-enoate
CID 3511303
dodecyl 2-cyano-3-(4-methoxyphenyl)prop-2-enoate
CID 54088952
butyl (Z)-2-benzoyl-3-(4-methoxyphenyl)prop-2-enoate
CID 11624221

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-2-tributylstannylprop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-2-tributylstannylprop-2-enamide (CID 11178801) is (E)-3-(4-methoxyphenyl)-2-tributylstannylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-2-tributylstannylprop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-2-tributylstannylprop-2-enamide is CCCC[Sn](CCCC)(CCCC)/C(=C/c1ccc(OC)cc1)C(N)=O.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-2-tributylstannylprop-2-enamide?
The InChIKey is ALJHHELYWUYHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10NO2.3C4H9.Sn/c1-13-9-5-2-8(3-6-9)4-7-10(11)12;3*1-3-4-2;/h2-6H,1H3,(H2,11,12);3*1,3-4H2,2H3;.
What are the key properties of (E)-3-(4-methoxyphenyl)-2-tributylstannylprop-2-enamide?
(E)-3-(4-methoxyphenyl)-2-tributylstannylprop-2-enamide has a molecular weight of 466.25 g/mol, XLogP of 5.95, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-2-tributylstannylprop-2-enamide is sourced from PubChem (CID 11178801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).