ethane;methane;N-[5-(propanoylamino)hexyl]propanamide

C15H34N2O2 — CID 159658097

IUPACethane;methane;N-[5-(propanoylamino)hexyl]propanamide
SMILESC.CC.CCC(=O)NCCCCC(C)NC(=O)CC
InChIInChI=1S/C12H24N2O2.C2H6.CH4/c1-4-11(15)13-9-7-6-8-10(3)14-12(16)5-2;1-2;/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16);1-2H3;1H4
InChIKeyMSKYCDOILARQEY-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.26
Rot. Bonds8

About ethane;methane;N-[5-(propanoylamino)hexyl]propanamide

ethane;methane;N-[5-(propanoylamino)hexyl]propanamide (PubChem CID 159658097) has the molecular formula C15H34N2O2 and a molecular weight of 274.45 g/mol. Its IUPAC name is ethane;methane;N-[5-(propanoylamino)hexyl]propanamide.

Molecular Properties

Compound Nameethane;methane;N-[5-(propanoylamino)hexyl]propanamide
PubChem CID159658097
Molecular FormulaC15H34N2O2
Molecular Weight274.45 g/mol
Exact Mass274.26
IUPAC Nameethane;methane;N-[5-(propanoylamino)hexyl]propanamide
SMILESC.CC.CCC(=O)NCCCCC(C)NC(=O)CC
InChIInChI=1S/C12H24N2O2.C2H6.CH4/c1-4-11(15)13-9-7-6-8-10(3)14-12(16)5-2;1-2;/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16);1-2H3;1H4
InChIKeyMSKYCDOILARQEY-UHFFFAOYSA-N
XLogP3.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.26
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

N-(6-hydroxyheptyl)propanamide
CID 91284740
N-(5-methyl-6-oxoheptyl)propanamide
CID 76588295
N-(5,6-dihydroxyhexyl)propanamide;ethane
CID 156842187
N-(4-methylpentyl)propanamide
CID 54140551
N-dodecan-2-ylpropanamide
CID 174988669
N-(4-hydroxypentyl)propanamide
CID 107299540
ethane;N-undecylpropanamide
CID 155706114
N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
N-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide
CID 170089451
4-methoxy-N-[5-(4-methoxybutanoylamino)hexyl]butanamide
CID 59074160
N-[2-(propanoylamino)propyl]propanamide
CID 3569677
ethane;methanethiol;N-nonylpropanamide
CID 177150000

Frequently Asked Questions

What is the IUPAC name of ethane;methane;N-[5-(propanoylamino)hexyl]propanamide?
The IUPAC name of ethane;methane;N-[5-(propanoylamino)hexyl]propanamide (CID 159658097) is ethane;methane;N-[5-(propanoylamino)hexyl]propanamide.
What is the SMILES notation for ethane;methane;N-[5-(propanoylamino)hexyl]propanamide?
The canonical SMILES for ethane;methane;N-[5-(propanoylamino)hexyl]propanamide is C.CC.CCC(=O)NCCCCC(C)NC(=O)CC.
What is the InChIKey of ethane;methane;N-[5-(propanoylamino)hexyl]propanamide?
The InChIKey is MSKYCDOILARQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.C2H6.CH4/c1-4-11(15)13-9-7-6-8-10(3)14-12(16)5-2;1-2;/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16);1-2H3;1H4.
What are the key properties of ethane;methane;N-[5-(propanoylamino)hexyl]propanamide?
ethane;methane;N-[5-(propanoylamino)hexyl]propanamide has a molecular weight of 274.45 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;N-[5-(propanoylamino)hexyl]propanamide is sourced from PubChem (CID 159658097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).