2,3-dideuterio-N,N-diethyldecanamide

C14H29NO — CID 11241684

IUPAC2,3-dideuterio-N,N-diethyldecanamide
SMILES[2H]C(CCCCCCC)C([2H])C(=O)N(CC)CC
InChIInChI=1S/C14H29NO/c1-4-7-8-9-10-11-12-13-14(16)15(5-2)6-3/h4-13H2,1-3H3/i12D,13D
InChIKeyOOYRLFIIUVBZSY-LNBFZYQFSA-N
MW229.40 g/mol
LogP4.00
Rot. Bonds10

About 2,3-dideuterio-N,N-diethyldecanamide

2,3-dideuterio-N,N-diethyldecanamide (PubChem CID 11241684) has the molecular formula C14H29NO and a molecular weight of 229.40 g/mol. Its IUPAC name is 2,3-dideuterio-N,N-diethyldecanamide.

Molecular Properties

Compound Name2,3-dideuterio-N,N-diethyldecanamide
PubChem CID11241684
Molecular FormulaC14H29NO
Molecular Weight229.40 g/mol
Exact Mass229.24
IUPAC Name2,3-dideuterio-N,N-diethyldecanamide
SMILES[2H]C(CCCCCCC)C([2H])C(=O)N(CC)CC
InChIInChI=1S/C14H29NO/c1-4-7-8-9-10-11-12-13-14(16)15(5-2)6-3/h4-13H2,1-3H3/i12D,13D
InChIKeyOOYRLFIIUVBZSY-LNBFZYQFSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.40
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Laurocapram
CID 42981
Dimethyl capramide
CID 26690
N,N-Diethyldodecanamide
CID 18783
N,N-Dimethyldodecanamide
CID 18159
N,N-Dimethyloctanamide
CID 14240
1-(1-Pyrrolidinyl)-1-hexadecanone
CID 247220
Dimethyl myristamide
CID 76388
Hexadecanamide, N,N-dimethyl-
CID 19766
N,N-Dibutyldodecanamide
CID 219313
N,N-Dimethylhexanamide
CID 22084
N~1~,N~1~,N~10~,N~10~-Tetramethyldecanediamide
CID 166804
1-(Pyrrolidin-1-yl)hexan-1-one
CID 246835

Frequently Asked Questions

What is the IUPAC name of 2,3-dideuterio-N,N-diethyldecanamide?
The IUPAC name of 2,3-dideuterio-N,N-diethyldecanamide (CID 11241684) is 2,3-dideuterio-N,N-diethyldecanamide.
What is the SMILES notation for 2,3-dideuterio-N,N-diethyldecanamide?
The canonical SMILES for 2,3-dideuterio-N,N-diethyldecanamide is [2H]C(CCCCCCC)C([2H])C(=O)N(CC)CC.
What is the InChIKey of 2,3-dideuterio-N,N-diethyldecanamide?
The InChIKey is OOYRLFIIUVBZSY-LNBFZYQFSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-7-8-9-10-11-12-13-14(16)15(5-2)6-3/h4-13H2,1-3H3/i12D,13D.
What are the key properties of 2,3-dideuterio-N,N-diethyldecanamide?
2,3-dideuterio-N,N-diethyldecanamide has a molecular weight of 229.40 g/mol, XLogP of 4.00, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dideuterio-N,N-diethyldecanamide is sourced from PubChem (CID 11241684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).