tetradecanamide

C42H87N3O3 — CID 175692014

IUPACtetradecanamide
SMILESCCCCCCCCCCCCCC(N)=O.CCCCCCCCCCCCCC(N)=O.CCCCCCCCCCCCCC(N)=O
InChIInChI=1S/3C14H29NO/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h3*2-13H2,1H3,(H2,15,16)
InChIKeyMEIIQSABXBHCFV-UHFFFAOYSA-N
MW682.18 g/mol
LogP12.52
Rot. Bonds36

About tetradecanamide

tetradecanamide (PubChem CID 175692014) has the molecular formula C42H87N3O3 and a molecular weight of 682.18 g/mol. Its IUPAC name is tetradecanamide.

Molecular Properties

Compound Nametetradecanamide
PubChem CID175692014
Molecular FormulaC42H87N3O3
Molecular Weight682.18 g/mol
Exact Mass681.67
IUPAC Nametetradecanamide
SMILESCCCCCCCCCCCCCC(N)=O.CCCCCCCCCCCCCC(N)=O.CCCCCCCCCCCCCC(N)=O
InChIInChI=1S/3C14H29NO/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h3*2-13H2,1H3,(H2,15,16)
InChIKeyMEIIQSABXBHCFV-UHFFFAOYSA-N
XLogP12.52
TPSA129.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds36
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.18
LogP ≤ 512.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
octadecanamide;hydrochloride
CID 87891779
butane;octanamide
CID 87511414
octadecanamide;zinc
CID 87169213
ethanol;tridecanamide
CID 174935457
CID 87899207
CID 87899207
ethane-1,2-diamine;bis(octadecanamide)
CID 22256983
dodecanamide;N-methylmethanamine
CID 159337435
acetamide;decanamide;dihydrochloride
CID 141131942
potassium;hexanamide;hydride
CID 173117462
octadecanamide;bis(propan-2-ol)
CID 90014672

Frequently Asked Questions

What is the IUPAC name of tetradecanamide?
The IUPAC name of tetradecanamide (CID 175692014) is tetradecanamide.
What is the SMILES notation for tetradecanamide?
The canonical SMILES for tetradecanamide is CCCCCCCCCCCCCC(N)=O.CCCCCCCCCCCCCC(N)=O.CCCCCCCCCCCCCC(N)=O.
What is the InChIKey of tetradecanamide?
The InChIKey is MEIIQSABXBHCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H29NO/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h3*2-13H2,1H3,(H2,15,16).
What are the key properties of tetradecanamide?
tetradecanamide has a molecular weight of 682.18 g/mol, XLogP of 12.52, 36 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecanamide is sourced from PubChem (CID 175692014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).