N,N-di(tetradecyl)butanamide;methanol;3-methylbutan-1-ol;rhenium

C38H80NO3Re- — CID 177144773

IUPACN,N-di(tetradecyl)butanamide;methanol;3-methylbutan-1-ol;rhenium
SMILESCC(C)CCO.CO.C[CH-]CC(=O)N(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC.[Re]
InChIInChI=1S/C32H64NO.C5H12O.CH4O.Re/c1-4-7-9-11-13-15-17-19-21-23-25-27-30-33(32(34)29-6-3)31-28-26-24-22-20-18-16-14-12-10-8-5-2;1-5(2)3-4-6;1-2;/h6H,4-5,7-31H2,1-3H3;5-6H,3-4H2,1-2H3;2H,1H3;/q-1;;;
InChIKeyUKYIVSPFRLHRMW-UHFFFAOYSA-N
MW785.27 g/mol
LogP11.46
Rot. Bonds30

About N,N-di(tetradecyl)butanamide;methanol;3-methylbutan-1-ol;rhenium

N,N-di(tetradecyl)butanamide;methanol;3-methylbutan-1-ol;rhenium (PubChem CID 177144773) has the molecular formula C38H80NO3Re- and a molecular weight of 785.27 g/mol. Its IUPAC name is N,N-di(tetradecyl)butanamide;methanol;3-methylbutan-1-ol;rhenium.

Molecular Properties

Compound NameN,N-di(tetradecyl)butanamide;methanol;3-methylbutan-1-ol;rhenium
PubChem CID177144773
Molecular FormulaC38H80NO3Re-
Molecular Weight785.27 g/mol
Exact Mass785.57
IUPAC NameN,N-di(tetradecyl)butanamide;methanol;3-methylbutan-1-ol;rhenium
SMILESCC(C)CCO.CO.C[CH-]CC(=O)N(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC.[Re]
InChIInChI=1S/C32H64NO.C5H12O.CH4O.Re/c1-4-7-9-11-13-15-17-19-21-23-25-27-30-33(32(34)29-6-3)31-28-26-24-22-20-18-16-14-12-10-8-5-2;1-5(2)3-4-6;1-2;/h6H,4-5,7-31H2,1-3H3;5-6H,3-4H2,1-2H3;2H,1H3;/q-1;;;
InChIKeyUKYIVSPFRLHRMW-UHFFFAOYSA-N
XLogP11.46
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.27
LogP ≤ 511.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N,N-di(tetradecyl)acetamide;dihydrate
CID 87317133
3-amino-N-hexyl-N-(2-hydroxyethyl)butanamide
CID 60963416
1-hexyl-1-(3-methylbutyl)urea
CID 173062711
N,N-di(undecyl)butanamide
CID 533369
N,N-di(nonyl)butanamide
CID 533367
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-di(undecyl)pentanamide
CID 532896
N,N-dioctyltetradecanamide
CID 169083302
4-methylpentyl 4-(diheptylamino)-4-oxobutanoate
CID 91737579
azane;ethanol;hexane;3-methylbutan-1-ol;hydrate
CID 174918967
3-sulfanyl-N,N-di(tetradecyl)propanamide
CID 10791452

Frequently Asked Questions

What is the IUPAC name of N,N-di(tetradecyl)butanamide;methanol;3-methylbutan-1-ol;rhenium?
The IUPAC name of N,N-di(tetradecyl)butanamide;methanol;3-methylbutan-1-ol;rhenium (CID 177144773) is N,N-di(tetradecyl)butanamide;methanol;3-methylbutan-1-ol;rhenium.
What is the SMILES notation for N,N-di(tetradecyl)butanamide;methanol;3-methylbutan-1-ol;rhenium?
The canonical SMILES for N,N-di(tetradecyl)butanamide;methanol;3-methylbutan-1-ol;rhenium is CC(C)CCO.CO.C[CH-]CC(=O)N(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC.[Re].
What is the InChIKey of N,N-di(tetradecyl)butanamide;methanol;3-methylbutan-1-ol;rhenium?
The InChIKey is UKYIVSPFRLHRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64NO.C5H12O.CH4O.Re/c1-4-7-9-11-13-15-17-19-21-23-25-27-30-33(32(34)29-6-3)31-28-26-24-22-20-18-16-14-12-10-8-5-2;1-5(2)3-4-6;1-2;/h6H,4-5,7-31H2,1-3H3;5-6H,3-4H2,1-2H3;2H,1H3;/q-1;;;.
What are the key properties of N,N-di(tetradecyl)butanamide;methanol;3-methylbutan-1-ol;rhenium?
N,N-di(tetradecyl)butanamide;methanol;3-methylbutan-1-ol;rhenium has a molecular weight of 785.27 g/mol, XLogP of 11.46, 30 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(tetradecyl)butanamide;methanol;3-methylbutan-1-ol;rhenium is sourced from PubChem (CID 177144773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).