N-(2-methoxyethyl)-4-[methyl(propyl)stibanyl]butanamide;(Z)-6-methyloct-3-ene-2,5-dione

C20H38NO4Sb — CID 145018895

IUPACN-(2-methoxyethyl)-4-[methyl(propyl)stibanyl]butanamide;(Z)-6-methyloct-3-ene-2,5-dione
SMILESCCC(C)C(=O)/C=C\C(C)=O.CCC[Sb](C)CCCC(=O)NCCOC
InChIInChI=1S/C9H14O2.C7H14NO2.C3H7.CH3.Sb/c1-4-7(2)9(11)6-5-8(3)10;1-3-4-7(9)8-5-6-10-2;1-3-2;;/h5-7H,4H2,1-3H3;1,3-6H2,2H3,(H,8,9);1,3H2,2H3;1H3;/b6-5-;;;;
InChIKeyRSVOGRDMSYQDBI-YGGCHVFLSA-N
MW478.29 g/mol
LogP3.81
Rot. Bonds13

About N-(2-methoxyethyl)-4-[methyl(propyl)stibanyl]butanamide;(Z)-6-methyloct-3-ene-2,5-dione

N-(2-methoxyethyl)-4-[methyl(propyl)stibanyl]butanamide;(Z)-6-methyloct-3-ene-2,5-dione (PubChem CID 145018895) has the molecular formula C20H38NO4Sb and a molecular weight of 478.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[methyl(propyl)stibanyl]butanamide;(Z)-6-methyloct-3-ene-2,5-dione.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[methyl(propyl)stibanyl]butanamide;(Z)-6-methyloct-3-ene-2,5-dione
PubChem CID145018895
Molecular FormulaC20H38NO4Sb
Molecular Weight478.29 g/mol
Exact Mass477.18
IUPAC NameN-(2-methoxyethyl)-4-[methyl(propyl)stibanyl]butanamide;(Z)-6-methyloct-3-ene-2,5-dione
SMILESCCC(C)C(=O)/C=C\C(C)=O.CCC[Sb](C)CCCC(=O)NCCOC
InChIInChI=1S/C9H14O2.C7H14NO2.C3H7.CH3.Sb/c1-4-7(2)9(11)6-5-8(3)10;1-3-4-7(9)8-5-6-10-2;1-3-2;;/h5-7H,4H2,1-3H3;1,3-6H2,2H3,(H,8,9);1,3H2,2H3;1H3;/b6-5-;;;;
InChIKeyRSVOGRDMSYQDBI-YGGCHVFLSA-N
XLogP3.81
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.29
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide
CID 134259653
5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide
CID 166039715
N-(2-methoxyethyl)-4-(methylamino)butanamide
CID 60841118
N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
CID 59789572
4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide
CID 176759210
N-(2-methoxyethyl)-3-(octan-2-ylamino)propanamide
CID 115712027
2-methoxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide
CID 112686354
3-(heptan-4-ylamino)-N-(2-methoxyethyl)propanamide
CID 115676517
N-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethyl]tetradecanamide
CID 156529774

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[methyl(propyl)stibanyl]butanamide;(Z)-6-methyloct-3-ene-2,5-dione?
The IUPAC name of N-(2-methoxyethyl)-4-[methyl(propyl)stibanyl]butanamide;(Z)-6-methyloct-3-ene-2,5-dione (CID 145018895) is N-(2-methoxyethyl)-4-[methyl(propyl)stibanyl]butanamide;(Z)-6-methyloct-3-ene-2,5-dione.
What is the SMILES notation for N-(2-methoxyethyl)-4-[methyl(propyl)stibanyl]butanamide;(Z)-6-methyloct-3-ene-2,5-dione?
The canonical SMILES for N-(2-methoxyethyl)-4-[methyl(propyl)stibanyl]butanamide;(Z)-6-methyloct-3-ene-2,5-dione is CCC(C)C(=O)/C=C\C(C)=O.CCC[Sb](C)CCCC(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)-4-[methyl(propyl)stibanyl]butanamide;(Z)-6-methyloct-3-ene-2,5-dione?
The InChIKey is RSVOGRDMSYQDBI-YGGCHVFLSA-N. The full InChI is InChI=1S/C9H14O2.C7H14NO2.C3H7.CH3.Sb/c1-4-7(2)9(11)6-5-8(3)10;1-3-4-7(9)8-5-6-10-2;1-3-2;;/h5-7H,4H2,1-3H3;1,3-6H2,2H3,(H,8,9);1,3H2,2H3;1H3;/b6-5-;;;;.
What are the key properties of N-(2-methoxyethyl)-4-[methyl(propyl)stibanyl]butanamide;(Z)-6-methyloct-3-ene-2,5-dione?
N-(2-methoxyethyl)-4-[methyl(propyl)stibanyl]butanamide;(Z)-6-methyloct-3-ene-2,5-dione has a molecular weight of 478.29 g/mol, XLogP of 3.81, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[methyl(propyl)stibanyl]butanamide;(Z)-6-methyloct-3-ene-2,5-dione is sourced from PubChem (CID 145018895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).