16-methyl-N-propan-2-ylheptadecanamide

C21H43NO — CID 18007036

IUPAC16-methyl-N-propan-2-ylheptadecanamide
SMILESCC(C)CCCCCCCCCCCCCCC(=O)NC(C)C
InChIInChI=1S/C21H43NO/c1-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-21(23)22-20(3)4/h19-20H,5-18H2,1-4H3,(H,22,23)
InChIKeySMIFLUJXPQSNGT-UHFFFAOYSA-N
MW325.58 g/mol
LogP6.63
Rot. Bonds16

About 16-methyl-N-propan-2-ylheptadecanamide

16-methyl-N-propan-2-ylheptadecanamide (PubChem CID 18007036) has the molecular formula C21H43NO and a molecular weight of 325.58 g/mol. Its IUPAC name is 16-methyl-N-propan-2-ylheptadecanamide.

Molecular Properties

Compound Name16-methyl-N-propan-2-ylheptadecanamide
PubChem CID18007036
Molecular FormulaC21H43NO
Molecular Weight325.58 g/mol
Exact Mass325.33
IUPAC Name16-methyl-N-propan-2-ylheptadecanamide
SMILESCC(C)CCCCCCCCCCCCCCC(=O)NC(C)C
InChIInChI=1S/C21H43NO/c1-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-21(23)22-20(3)4/h19-20H,5-18H2,1-4H3,(H,22,23)
InChIKeySMIFLUJXPQSNGT-UHFFFAOYSA-N
XLogP6.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 56.63
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 16-methyl-N-propan-2-ylheptadecanamide?
The IUPAC name of 16-methyl-N-propan-2-ylheptadecanamide (CID 18007036) is 16-methyl-N-propan-2-ylheptadecanamide.
What is the SMILES notation for 16-methyl-N-propan-2-ylheptadecanamide?
The canonical SMILES for 16-methyl-N-propan-2-ylheptadecanamide is CC(C)CCCCCCCCCCCCCCC(=O)NC(C)C.
What is the InChIKey of 16-methyl-N-propan-2-ylheptadecanamide?
The InChIKey is SMIFLUJXPQSNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO/c1-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-21(23)22-20(3)4/h19-20H,5-18H2,1-4H3,(H,22,23).
What are the key properties of 16-methyl-N-propan-2-ylheptadecanamide?
16-methyl-N-propan-2-ylheptadecanamide has a molecular weight of 325.58 g/mol, XLogP of 6.63, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methyl-N-propan-2-ylheptadecanamide is sourced from PubChem (CID 18007036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).