N-heptan-2-yldodecanamide

C19H39NO — CID 3484810

IUPACN-heptan-2-yldodecanamide
SMILESCCCCCCCCCCCC(=O)NC(C)CCCCC
InChIInChI=1S/C19H39NO/c1-4-6-8-9-10-11-12-13-15-17-19(21)20-18(3)16-14-7-5-2/h18H,4-17H2,1-3H3,(H,20,21)
InChIKeyHQLWZLQGNSXNPR-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.99
Rot. Bonds15

About N-heptan-2-yldodecanamide

N-heptan-2-yldodecanamide (PubChem CID 3484810) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is N-heptan-2-yldodecanamide.

Molecular Properties

Compound NameN-heptan-2-yldodecanamide
PubChem CID3484810
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC NameN-heptan-2-yldodecanamide
SMILESCCCCCCCCCCCC(=O)NC(C)CCCCC
InChIInChI=1S/C19H39NO/c1-4-6-8-9-10-11-12-13-15-17-19(21)20-18(3)16-14-7-5-2/h18H,4-17H2,1-3H3,(H,20,21)
InChIKeyHQLWZLQGNSXNPR-UHFFFAOYSA-N
XLogP5.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.99
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

N-octadecan-2-ylhexadecanamide
CID 87600664
N-pentan-2-ylundecanamide
CID 173258559
N-(6-aminohexan-2-yl)octanamide
CID 123172105
5-chloro-N-heptan-2-ylpentanamide
CID 43578895
N-butan-2-ylnonanamide
CID 4188803
N-butan-2-ylhexacosanamide
CID 163047877
N-dodecan-2-ylpropanamide
CID 174988669
N-(4-aminobutan-2-yl)octanamide
CID 62087208
N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581
N-heptan-2-ylhept-6-enamide
CID 166754138
4-acetamido-N-octan-2-ylbutanamide
CID 90319898
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yldodecanamide?
The IUPAC name of N-heptan-2-yldodecanamide (CID 3484810) is N-heptan-2-yldodecanamide.
What is the SMILES notation for N-heptan-2-yldodecanamide?
The canonical SMILES for N-heptan-2-yldodecanamide is CCCCCCCCCCCC(=O)NC(C)CCCCC.
What is the InChIKey of N-heptan-2-yldodecanamide?
The InChIKey is HQLWZLQGNSXNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-4-6-8-9-10-11-12-13-15-17-19(21)20-18(3)16-14-7-5-2/h18H,4-17H2,1-3H3,(H,20,21).
What are the key properties of N-heptan-2-yldodecanamide?
N-heptan-2-yldodecanamide has a molecular weight of 297.53 g/mol, XLogP of 5.99, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yldodecanamide is sourced from PubChem (CID 3484810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).