ethane;N-methyl-6-(propanoylamino)hexanamide

C12H26N2O2 — CID 145098119

IUPACethane;N-methyl-6-(propanoylamino)hexanamide
SMILESCC.CCC(=O)NCCCCCC(=O)NC
InChIInChI=1S/C10H20N2O2.C2H6/c1-3-9(13)12-8-6-4-5-7-10(14)11-2;1-2/h3-8H2,1-2H3,(H,11,14)(H,12,13);1-2H3
InChIKeyHPHNIAKVUQVSPN-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.85
Rot. Bonds7

About ethane;N-methyl-6-(propanoylamino)hexanamide

ethane;N-methyl-6-(propanoylamino)hexanamide (PubChem CID 145098119) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is ethane;N-methyl-6-(propanoylamino)hexanamide.

Molecular Properties

Compound Nameethane;N-methyl-6-(propanoylamino)hexanamide
PubChem CID145098119
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Nameethane;N-methyl-6-(propanoylamino)hexanamide
SMILESCC.CCC(=O)NCCCCCC(=O)NC
InChIInChI=1S/C10H20N2O2.C2H6/c1-3-9(13)12-8-6-4-5-7-10(14)11-2;1-2/h3-8H2,1-2H3,(H,11,14)(H,12,13);1-2H3
InChIKeyHPHNIAKVUQVSPN-UHFFFAOYSA-N
XLogP1.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-pentyl-6-(propanoylamino)hexanamide
CID 166555695
ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid
CID 156732103
N-(12-oxotridecyl)propanamide
CID 171540592
11-(propanoylamino)undecanamide
CID 89244012
ethane;N-undecylpropanamide
CID 155706114
5-amino-N-[5-(propanoylamino)pentyl]pentanamide
CID 170966361
N,N'-dimethylheptanediamide
CID 15166696
6-amino-N-[6-(methylamino)-6-oxohexyl]hexanamide;methanamine
CID 169247906
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935
N-methyl-11-(methylamino)undecanamide
CID 59809097
ethane;N-methyltetradecanamide
CID 153349961

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-6-(propanoylamino)hexanamide?
The IUPAC name of ethane;N-methyl-6-(propanoylamino)hexanamide (CID 145098119) is ethane;N-methyl-6-(propanoylamino)hexanamide.
What is the SMILES notation for ethane;N-methyl-6-(propanoylamino)hexanamide?
The canonical SMILES for ethane;N-methyl-6-(propanoylamino)hexanamide is CC.CCC(=O)NCCCCCC(=O)NC.
What is the InChIKey of ethane;N-methyl-6-(propanoylamino)hexanamide?
The InChIKey is HPHNIAKVUQVSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.C2H6/c1-3-9(13)12-8-6-4-5-7-10(14)11-2;1-2/h3-8H2,1-2H3,(H,11,14)(H,12,13);1-2H3.
What are the key properties of ethane;N-methyl-6-(propanoylamino)hexanamide?
ethane;N-methyl-6-(propanoylamino)hexanamide has a molecular weight of 230.35 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-6-(propanoylamino)hexanamide is sourced from PubChem (CID 145098119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).