N-propan-2-ylhexadecanamide

C19H39NO — CID 5063962

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

About N-propan-2-ylhexadecanamide

N-propan-2-ylhexadecanamide (PubChem CID 5063962) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is N-propan-2-ylhexadecanamide.

Molecular Properties

Compound NameN-propan-2-ylhexadecanamide
PubChem CID5063962
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC NameN-propan-2-ylhexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC(C)C
InChIInChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)20-18(2)3/h18H,4-17H2,1-3H3,(H,20,21)
InChIKeyTZYVUGCYYQOTQR-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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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylhexadecanamide?
The IUPAC name of N-propan-2-ylhexadecanamide (CID 5063962) is N-propan-2-ylhexadecanamide.
What is the SMILES notation for N-propan-2-ylhexadecanamide?
The canonical SMILES for N-propan-2-ylhexadecanamide is CCCCCCCCCCCCCCCC(=O)NC(C)C.
What is the InChIKey of N-propan-2-ylhexadecanamide?
The InChIKey is TZYVUGCYYQOTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)20-18(2)3/h18H,4-17H2,1-3H3,(H,20,21).
What are the key properties of N-propan-2-ylhexadecanamide?
N-propan-2-ylhexadecanamide 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-propan-2-ylhexadecanamide is sourced from PubChem (CID 5063962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).