N-(2,3-dimethylcyclohexyl)-2-[(2Z,4E)-4-phosphanylhepta-2,4-dienyl]sulfanylacetamide;ethane

C19H36NOPS — CID 143560588

IUPACN-(2,3-dimethylcyclohexyl)-2-[(2Z,4E)-4-phosphanylhepta-2,4-dienyl]sulfanylacetamide;ethane
SMILESCC.CC/C=C(P)\C=C/CSCC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C17H30NOPS.C2H6/c1-4-7-15(20)9-6-11-21-12-17(19)18-16-10-5-8-13(2)14(16)3;1-2/h6-7,9,13-14,16H,4-5,8,10-12,20H2,1-3H3,(H,18,19);1-2H3/b9-6-,15-7+;
InChIKeyBUDRYZPSFGSRTO-VOWPUKJESA-N
MW357.54 g/mol
LogP5.41
Rot. Bonds7

About N-(2,3-dimethylcyclohexyl)-2-[(2Z,4E)-4-phosphanylhepta-2,4-dienyl]sulfanylacetamide;ethane

N-(2,3-dimethylcyclohexyl)-2-[(2Z,4E)-4-phosphanylhepta-2,4-dienyl]sulfanylacetamide;ethane (PubChem CID 143560588) has the molecular formula C19H36NOPS and a molecular weight of 357.54 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-[(2Z,4E)-4-phosphanylhepta-2,4-dienyl]sulfanylacetamide;ethane.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-[(2Z,4E)-4-phosphanylhepta-2,4-dienyl]sulfanylacetamide;ethane
PubChem CID143560588
Molecular FormulaC19H36NOPS
Molecular Weight357.54 g/mol
Exact Mass357.23
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-[(2Z,4E)-4-phosphanylhepta-2,4-dienyl]sulfanylacetamide;ethane
SMILESCC.CC/C=C(P)\C=C/CSCC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C17H30NOPS.C2H6/c1-4-7-15(20)9-6-11-21-12-17(19)18-16-10-5-8-13(2)14(16)3;1-2/h6-7,9,13-14,16H,4-5,8,10-12,20H2,1-3H3,(H,18,19);1-2H3/b9-6-,15-7+;
InChIKeyBUDRYZPSFGSRTO-VOWPUKJESA-N
XLogP5.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-(2,3-dimethylcyclohexyl)-2-[(2Z,4E)-4-phosphanylhepta-2,4-dienyl]sulfanylacetamide;ethane with MolForge

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Related Compounds

N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide
CID 124838816
3-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]sulfanylpropanoic acid
CID 93302403
3-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 64916472
N-(2,3-dimethylcyclohexyl)decanamide;ethane
CID 143436811
2-[1-[[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
CID 65443068
N-(2,3-dimethylcyclohexyl)tridecanamide
CID 57307251
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 11906066
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 2374570
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 7041193
2-[2-[(2,3-dimethylcyclopentyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104570030
5-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-5-oxopentanoic acid
CID 7317755
N-(2,3-dimethylcyclohexyl)-2-(prop-2-enylamino)acetamide
CID 78908844

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[(2Z,4E)-4-phosphanylhepta-2,4-dienyl]sulfanylacetamide;ethane?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[(2Z,4E)-4-phosphanylhepta-2,4-dienyl]sulfanylacetamide;ethane (CID 143560588) is N-(2,3-dimethylcyclohexyl)-2-[(2Z,4E)-4-phosphanylhepta-2,4-dienyl]sulfanylacetamide;ethane.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-[(2Z,4E)-4-phosphanylhepta-2,4-dienyl]sulfanylacetamide;ethane?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-[(2Z,4E)-4-phosphanylhepta-2,4-dienyl]sulfanylacetamide;ethane is CC.CC/C=C(P)\C=C/CSCC(=O)NC1CCCC(C)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-[(2Z,4E)-4-phosphanylhepta-2,4-dienyl]sulfanylacetamide;ethane?
The InChIKey is BUDRYZPSFGSRTO-VOWPUKJESA-N. The full InChI is InChI=1S/C17H30NOPS.C2H6/c1-4-7-15(20)9-6-11-21-12-17(19)18-16-10-5-8-13(2)14(16)3;1-2/h6-7,9,13-14,16H,4-5,8,10-12,20H2,1-3H3,(H,18,19);1-2H3/b9-6-,15-7+;.
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-[(2Z,4E)-4-phosphanylhepta-2,4-dienyl]sulfanylacetamide;ethane?
N-(2,3-dimethylcyclohexyl)-2-[(2Z,4E)-4-phosphanylhepta-2,4-dienyl]sulfanylacetamide;ethane has a molecular weight of 357.54 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-[(2Z,4E)-4-phosphanylhepta-2,4-dienyl]sulfanylacetamide;ethane is sourced from PubChem (CID 143560588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).