ethane;N-undecylpropanamide

C16H35NO — CID 155706114

IUPACethane;N-undecylpropanamide
SMILESCC.CCCCCCCCCCCNC(=O)CC
InChIInChI=1S/C14H29NO.C2H6/c1-3-5-6-7-8-9-10-11-12-13-15-14(16)4-2;1-2/h3-13H2,1-2H3,(H,15,16);1-2H3
InChIKeyQTFJRIRQKSCCEA-UHFFFAOYSA-N
MW257.46 g/mol
LogP5.07
Rot. Bonds11

About ethane;N-undecylpropanamide

ethane;N-undecylpropanamide (PubChem CID 155706114) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is ethane;N-undecylpropanamide.

Molecular Properties

Compound Nameethane;N-undecylpropanamide
PubChem CID155706114
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Nameethane;N-undecylpropanamide
SMILESCC.CCCCCCCCCCCNC(=O)CC
InChIInChI=1S/C14H29NO.C2H6/c1-3-5-6-7-8-9-10-11-12-13-15-14(16)4-2;1-2/h3-13H2,1-2H3,(H,15,16);1-2H3
InChIKeyQTFJRIRQKSCCEA-UHFFFAOYSA-N
XLogP5.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.46
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;methanethiol;N-nonylpropanamide
CID 177150000
ethane;N-pentyl-6-(propanoylamino)hexanamide
CID 166555695
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935
ethane;N'-heptyl-N-hexylpentanediamide
CID 154688673
N-[5-[5-(propylamino)pentylamino]pentyl]propanamide
CID 58435562
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-tetradecylpentanamide
CID 87172595
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069

Frequently Asked Questions

What is the IUPAC name of ethane;N-undecylpropanamide?
The IUPAC name of ethane;N-undecylpropanamide (CID 155706114) is ethane;N-undecylpropanamide.
What is the SMILES notation for ethane;N-undecylpropanamide?
The canonical SMILES for ethane;N-undecylpropanamide is CC.CCCCCCCCCCCNC(=O)CC.
What is the InChIKey of ethane;N-undecylpropanamide?
The InChIKey is QTFJRIRQKSCCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO.C2H6/c1-3-5-6-7-8-9-10-11-12-13-15-14(16)4-2;1-2/h3-13H2,1-2H3,(H,15,16);1-2H3.
What are the key properties of ethane;N-undecylpropanamide?
ethane;N-undecylpropanamide has a molecular weight of 257.46 g/mol, XLogP of 5.07, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-undecylpropanamide is sourced from PubChem (CID 155706114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).