ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid

C29H58N2O6 — CID 156732103

IUPACethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid
SMILESCC.CCC(=O)NCCCCCCCCCC(=O)O.CCC(=O)NCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H27NO3.C13H25NO3.C2H6/c1-2-13(16)15-12-10-8-6-4-3-5-7-9-11-14(17)18;1-2-12(15)14-11-9-7-5-3-4-6-8-10-13(16)17;1-2/h2-12H2,1H3,(H,15,16)(H,17,18);2-11H2,1H3,(H,14,15)(H,16,17);1-2H3
InChIKeyBHXRWKVJWZAEKS-UHFFFAOYSA-N
MW530.79 g/mol
LogP6.85
Rot. Bonds23

About ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid

ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid (PubChem CID 156732103) has the molecular formula C29H58N2O6 and a molecular weight of 530.79 g/mol. Its IUPAC name is ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid.

Molecular Properties

Compound Nameethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid
PubChem CID156732103
Molecular FormulaC29H58N2O6
Molecular Weight530.79 g/mol
Exact Mass530.43
IUPAC Nameethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid
SMILESCC.CCC(=O)NCCCCCCCCCC(=O)O.CCC(=O)NCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H27NO3.C13H25NO3.C2H6/c1-2-13(16)15-12-10-8-6-4-3-5-7-9-11-14(17)18;1-2-12(15)14-11-9-7-5-3-4-6-8-10-13(16)17;1-2/h2-12H2,1H3,(H,15,16)(H,17,18);2-11H2,1H3,(H,14,15)(H,16,17);1-2H3
InChIKeyBHXRWKVJWZAEKS-UHFFFAOYSA-N
XLogP6.85
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.79
LogP ≤ 56.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

16-(butanoylamino)hexadecanoic acid
CID 118711043
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
6-(hexylamino)-6-oxohexanoic acid
CID 22448385
ethane;N-methyl-6-(propanoylamino)hexanamide
CID 145098119
ethane;N-pentyl-6-(propanoylamino)hexanamide
CID 166555695
11-(dodecanoylamino)undecanoic acid
CID 4163254
N-(12-oxotridecyl)propanamide
CID 171540592
11-(propanoylamino)undecanamide
CID 89244012
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
CID 170853910
ethane;N-undecylpropanamide
CID 155706114

Frequently Asked Questions

What is the IUPAC name of ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid?
The IUPAC name of ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid (CID 156732103) is ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid.
What is the SMILES notation for ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid?
The canonical SMILES for ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid is CC.CCC(=O)NCCCCCCCCCC(=O)O.CCC(=O)NCCCCCCCCCCC(=O)O.
What is the InChIKey of ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid?
The InChIKey is BHXRWKVJWZAEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3.C13H25NO3.C2H6/c1-2-13(16)15-12-10-8-6-4-3-5-7-9-11-14(17)18;1-2-12(15)14-11-9-7-5-3-4-6-8-10-13(16)17;1-2/h2-12H2,1H3,(H,15,16)(H,17,18);2-11H2,1H3,(H,14,15)(H,16,17);1-2H3.
What are the key properties of ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid?
ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid has a molecular weight of 530.79 g/mol, XLogP of 6.85, 23 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid is sourced from PubChem (CID 156732103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).