ethane;N-[2-(propanoylamino)ethyl]-3-propylsulfanylpropanamide

C17H40N2O2S — CID 145289117

IUPACethane;N-[2-(propanoylamino)ethyl]-3-propylsulfanylpropanamide
SMILESCC.CC.CC.CCCSCCC(=O)NCCNC(=O)CC
InChIInChI=1S/C11H22N2O2S.3C2H6/c1-3-8-16-9-5-11(15)13-7-6-12-10(14)4-2;3*1-2/h3-9H2,1-2H3,(H,12,14)(H,13,15);3*1-2H3
InChIKeyYRJBJYJUJAZAGQ-UHFFFAOYSA-N
MW336.59 g/mol
LogP4.24
Rot. Bonds9

About ethane;N-[2-(propanoylamino)ethyl]-3-propylsulfanylpropanamide

ethane;N-[2-(propanoylamino)ethyl]-3-propylsulfanylpropanamide (PubChem CID 145289117) has the molecular formula C17H40N2O2S and a molecular weight of 336.59 g/mol. Its IUPAC name is ethane;N-[2-(propanoylamino)ethyl]-3-propylsulfanylpropanamide.

Molecular Properties

Compound Nameethane;N-[2-(propanoylamino)ethyl]-3-propylsulfanylpropanamide
PubChem CID145289117
Molecular FormulaC17H40N2O2S
Molecular Weight336.59 g/mol
Exact Mass336.28
IUPAC Nameethane;N-[2-(propanoylamino)ethyl]-3-propylsulfanylpropanamide
SMILESCC.CC.CC.CCCSCCC(=O)NCCNC(=O)CC
InChIInChI=1S/C11H22N2O2S.3C2H6/c1-3-8-16-9-5-11(15)13-7-6-12-10(14)4-2;3*1-2/h3-9H2,1-2H3,(H,12,14)(H,13,15);3*1-2H3
InChIKeyYRJBJYJUJAZAGQ-UHFFFAOYSA-N
XLogP4.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.59
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-propylsulfanylacetyl)amino]ethyl]propanamide
CID 168959566
3-[2-(propanoylamino)ethylsulfanyl]propanoic acid
CID 115731585
ethane;N-propyl-6-propylsulfanylhexanamide
CID 145373155
N-[2-(propanoylamino)ethyl]pentanamide
CID 108542545
3-methylsulfanyl-N-propylpropanamide
CID 60637635
ethane;N-pentyl-6-(propanoylamino)hexanamide
CID 166555695
3-[2-[propanoyl-[2-(propanoylamino)ethyl]amino]ethylsulfanyl]propanoic acid
CID 164843320
trimethyl-[3-(3-tetradecylsulfanylpropanoylamino)propyl]azanium
CID 139603286
N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide
CID 56621011
ethane;N-undecylpropanamide
CID 155706114
N-[2-(2-oxobutylsulfanyl)ethyl]propanamide
CID 166556003
N-[2-(carbamoylamino)ethyl]propanamide
CID 78993883

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(propanoylamino)ethyl]-3-propylsulfanylpropanamide?
The IUPAC name of ethane;N-[2-(propanoylamino)ethyl]-3-propylsulfanylpropanamide (CID 145289117) is ethane;N-[2-(propanoylamino)ethyl]-3-propylsulfanylpropanamide.
What is the SMILES notation for ethane;N-[2-(propanoylamino)ethyl]-3-propylsulfanylpropanamide?
The canonical SMILES for ethane;N-[2-(propanoylamino)ethyl]-3-propylsulfanylpropanamide is CC.CC.CC.CCCSCCC(=O)NCCNC(=O)CC.
What is the InChIKey of ethane;N-[2-(propanoylamino)ethyl]-3-propylsulfanylpropanamide?
The InChIKey is YRJBJYJUJAZAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S.3C2H6/c1-3-8-16-9-5-11(15)13-7-6-12-10(14)4-2;3*1-2/h3-9H2,1-2H3,(H,12,14)(H,13,15);3*1-2H3.
What are the key properties of ethane;N-[2-(propanoylamino)ethyl]-3-propylsulfanylpropanamide?
ethane;N-[2-(propanoylamino)ethyl]-3-propylsulfanylpropanamide has a molecular weight of 336.59 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(propanoylamino)ethyl]-3-propylsulfanylpropanamide is sourced from PubChem (CID 145289117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).