nonacosanamide

C29H59NO — CID 21105912

IUPACnonacosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C29H59NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31/h2-28H2,1H3,(H2,30,31)
InChIKeyDZHXETZSARRZPO-UHFFFAOYSA-N
MW437.80 g/mol
LogP10.02
Rot. Bonds27

About nonacosanamide

nonacosanamide (PubChem CID 21105912) has the molecular formula C29H59NO and a molecular weight of 437.80 g/mol. Its IUPAC name is nonacosanamide.

Molecular Properties

Compound Namenonacosanamide
PubChem CID21105912
Molecular FormulaC29H59NO
Molecular Weight437.80 g/mol
Exact Mass437.46
IUPAC Namenonacosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C29H59NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31/h2-28H2,1H3,(H2,30,31)
InChIKeyDZHXETZSARRZPO-UHFFFAOYSA-N
XLogP10.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.80
LogP ≤ 510.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tetradecanamide
CID 175692014
tetrapentacontanamide
CID 139682680
octadecanamide;zinc
CID 87169213
butane;octanamide
CID 87511414
octadecanamide;hydrochloride
CID 87891779
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 nonacosanamide?
The IUPAC name of nonacosanamide (CID 21105912) is nonacosanamide.
What is the SMILES notation for nonacosanamide?
The canonical SMILES for nonacosanamide is CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(N)=O.
What is the InChIKey of nonacosanamide?
The InChIKey is DZHXETZSARRZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H59NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31/h2-28H2,1H3,(H2,30,31).
What are the key properties of nonacosanamide?
nonacosanamide has a molecular weight of 437.80 g/mol, XLogP of 10.02, 27 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonacosanamide is sourced from PubChem (CID 21105912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).