ethane;N-[1-(3-methoxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]formamide;N-[5-(propanoylamino)pentyl]hexanamide

C27H57N3O5 — CID 170966754

IUPACethane;N-[1-(3-methoxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]formamide;N-[5-(propanoylamino)pentyl]hexanamide
SMILESCC.CCCCCC(=O)NCCCCCNC(=O)CC.COCC(C)(C)COCC(C)(C)NC=O
InChIInChI=1S/C14H28N2O2.C11H23NO3.C2H6/c1-3-5-7-10-14(18)16-12-9-6-8-11-15-13(17)4-2;1-10(2,6-14-5)7-15-8-11(3,4)12-9-13;1-2/h3-12H2,1-2H3,(H,15,17)(H,16,18);9H,6-8H2,1-5H3,(H,12,13);1-2H3
InChIKeyVWAPVNHSXMEGIU-UHFFFAOYSA-N
MW503.77 g/mol
LogP4.61
Rot. Bonds19

About ethane;N-[1-(3-methoxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]formamide;N-[5-(propanoylamino)pentyl]hexanamide

ethane;N-[1-(3-methoxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]formamide;N-[5-(propanoylamino)pentyl]hexanamide (PubChem CID 170966754) has the molecular formula C27H57N3O5 and a molecular weight of 503.77 g/mol. Its IUPAC name is ethane;N-[1-(3-methoxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]formamide;N-[5-(propanoylamino)pentyl]hexanamide.

Molecular Properties

Compound Nameethane;N-[1-(3-methoxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]formamide;N-[5-(propanoylamino)pentyl]hexanamide
PubChem CID170966754
Molecular FormulaC27H57N3O5
Molecular Weight503.77 g/mol
Exact Mass503.43
IUPAC Nameethane;N-[1-(3-methoxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]formamide;N-[5-(propanoylamino)pentyl]hexanamide
SMILESCC.CCCCCC(=O)NCCCCCNC(=O)CC.COCC(C)(C)COCC(C)(C)NC=O
InChIInChI=1S/C14H28N2O2.C11H23NO3.C2H6/c1-3-5-7-10-14(18)16-12-9-6-8-11-15-13(17)4-2;1-10(2,6-14-5)7-15-8-11(3,4)12-9-13;1-2/h3-12H2,1-2H3,(H,15,17)(H,16,18);9H,6-8H2,1-5H3,(H,12,13);1-2H3
InChIKeyVWAPVNHSXMEGIU-UHFFFAOYSA-N
XLogP4.61
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.77
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-pentyl-6-(propanoylamino)hexanamide
CID 166555695
(2S)-2-(hexanoylamino)-7-[[4-(3-methoxy-2,2-dimethylpropoxy)-3,3-dimethylbutanoyl]amino]-N-[3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethylpropyl]heptanamide
CID 170966672
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-nonyltridecanamide
CID 154228217

Frequently Asked Questions

What is the IUPAC name of ethane;N-[1-(3-methoxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]formamide;N-[5-(propanoylamino)pentyl]hexanamide?
The IUPAC name of ethane;N-[1-(3-methoxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]formamide;N-[5-(propanoylamino)pentyl]hexanamide (CID 170966754) is ethane;N-[1-(3-methoxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]formamide;N-[5-(propanoylamino)pentyl]hexanamide.
What is the SMILES notation for ethane;N-[1-(3-methoxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]formamide;N-[5-(propanoylamino)pentyl]hexanamide?
The canonical SMILES for ethane;N-[1-(3-methoxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]formamide;N-[5-(propanoylamino)pentyl]hexanamide is CC.CCCCCC(=O)NCCCCCNC(=O)CC.COCC(C)(C)COCC(C)(C)NC=O.
What is the InChIKey of ethane;N-[1-(3-methoxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]formamide;N-[5-(propanoylamino)pentyl]hexanamide?
The InChIKey is VWAPVNHSXMEGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2.C11H23NO3.C2H6/c1-3-5-7-10-14(18)16-12-9-6-8-11-15-13(17)4-2;1-10(2,6-14-5)7-15-8-11(3,4)12-9-13;1-2/h3-12H2,1-2H3,(H,15,17)(H,16,18);9H,6-8H2,1-5H3,(H,12,13);1-2H3.
What are the key properties of ethane;N-[1-(3-methoxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]formamide;N-[5-(propanoylamino)pentyl]hexanamide?
ethane;N-[1-(3-methoxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]formamide;N-[5-(propanoylamino)pentyl]hexanamide has a molecular weight of 503.77 g/mol, XLogP of 4.61, 19 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[1-(3-methoxy-2,2-dimethylpropoxy)-2-methylpropan-2-yl]formamide;N-[5-(propanoylamino)pentyl]hexanamide is sourced from PubChem (CID 170966754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).