2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]amino]-N,N-diethyl-3-methylbutanamide

C21H36N2OSi — CID 10959358

IUPAC2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]amino]-N,N-diethyl-3-methylbutanamide
SMILESC/C=C(/CNC(C(=O)N(CC)CC)C(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H36N2OSi/c1-8-18(25(6,7)19-14-12-11-13-15-19)16-22-20(17(4)5)21(24)23(9-2)10-3/h8,11-15,17,20,22H,9-10,16H2,1-7H3/b18-8-
InChIKeyPEOSHBVYSOTHCY-LSCVHKIXSA-N
MW360.62 g/mol
LogP3.57
Rot. Bonds9

About 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]amino]-N,N-diethyl-3-methylbutanamide

2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]amino]-N,N-diethyl-3-methylbutanamide (PubChem CID 10959358) has the molecular formula C21H36N2OSi and a molecular weight of 360.62 g/mol. Its IUPAC name is 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]amino]-N,N-diethyl-3-methylbutanamide.

Molecular Properties

Compound Name2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]amino]-N,N-diethyl-3-methylbutanamide
PubChem CID10959358
Molecular FormulaC21H36N2OSi
Molecular Weight360.62 g/mol
Exact Mass360.26
IUPAC Name2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]amino]-N,N-diethyl-3-methylbutanamide
SMILESC/C=C(/CNC(C(=O)N(CC)CC)C(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H36N2OSi/c1-8-18(25(6,7)19-14-12-11-13-15-19)16-22-20(17(4)5)21(24)23(9-2)10-3/h8,11-15,17,20,22H,9-10,16H2,1-7H3/b18-8-
InChIKeyPEOSHBVYSOTHCY-LSCVHKIXSA-N
XLogP3.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.62
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,6S)-4-[(E)-cinnamyl]-3,6-diisobutyl-piperazin-2-one
CID 68158727
(3S,6S,13E)-6-methyl-1-(3-methylbutyl)-3-(2-methylpropyl)-10-(3-phenylpropyl)-1,4,7,10-tetrazacyclopentadec-13-ene-2,5,9-trione
CID 162647978
(3S,6S,12E)-6-methyl-1-(3-methylbutyl)-3-(2-methylpropyl)-10-(3-phenylpropyl)-1,4,7,10-tetrazacyclotetradec-12-ene-2,5,9-trione
CID 162649535
tert-butyl N-[(2S,3R)-1-(diethylamino)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-1-oxopent-4-en-2-yl]carbamate
CID 10862968
(E)-2-(methylamino)-4-phenyl-N,N-bis(prop-2-enyl)but-3-enamide
CID 134917536
(2S,3S)-N-[(1R)-1-[[3-(butylamino)-3-oxopropyl]-diphenylsilyl]-3-methylbutyl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanamide
CID 71500860
(3S,6S)-3,6-Diisobutyl-4-(3-phenyl-allyl)-piperazin-2-one
CID 68158728
3,6-Bis(2-methylpropyl)-4-(3-phenylprop-2-enyl)piperazin-2-one
CID 77456664
(2S)-N,3-dimethyl-N-[(2S)-1-[methyl(2-phenylethyl)amino]-1-oxopropan-2-yl]-2-(propanoylamino)butanamide
CID 117752899
(2S)-2-(2-aminopropylamino)-N-(2-methylpropyl)pentanamide;toluene
CID 142987155
(2S,3S)-2-(benzylamino)-3-methyl-N-(trimethylsilylmethyl)pentanamide
CID 153529668
(2S)-2-[(2-amino-3-phenylpropyl)amino]-N-(2-methylpropyl)butanamide;methane
CID 159795910

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]amino]-N,N-diethyl-3-methylbutanamide?
The IUPAC name of 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]amino]-N,N-diethyl-3-methylbutanamide (CID 10959358) is 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]amino]-N,N-diethyl-3-methylbutanamide.
What is the SMILES notation for 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]amino]-N,N-diethyl-3-methylbutanamide?
The canonical SMILES for 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]amino]-N,N-diethyl-3-methylbutanamide is C/C=C(/CNC(C(=O)N(CC)CC)C(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]amino]-N,N-diethyl-3-methylbutanamide?
The InChIKey is PEOSHBVYSOTHCY-LSCVHKIXSA-N. The full InChI is InChI=1S/C21H36N2OSi/c1-8-18(25(6,7)19-14-12-11-13-15-19)16-22-20(17(4)5)21(24)23(9-2)10-3/h8,11-15,17,20,22H,9-10,16H2,1-7H3/b18-8-.
What are the key properties of 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]amino]-N,N-diethyl-3-methylbutanamide?
2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]amino]-N,N-diethyl-3-methylbutanamide has a molecular weight of 360.62 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]amino]-N,N-diethyl-3-methylbutanamide is sourced from PubChem (CID 10959358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).