N-benzyl-N-methyltetradecanamide

C22H37NO — CID 10042347

IUPACN-benzyl-N-methyltetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C22H37NO/c1-3-4-5-6-7-8-9-10-11-12-16-19-22(24)23(2)20-21-17-14-13-15-18-21/h13-15,17-18H,3-12,16,19-20H2,1-2H3
InChIKeyWAOUOHFPNXMRTL-UHFFFAOYSA-N
MW331.54 g/mol
LogP6.35
Rot. Bonds14

About N-benzyl-N-methyltetradecanamide

N-benzyl-N-methyltetradecanamide (PubChem CID 10042347) has the molecular formula C22H37NO and a molecular weight of 331.54 g/mol. Its IUPAC name is N-benzyl-N-methyltetradecanamide.

Molecular Properties

Compound NameN-benzyl-N-methyltetradecanamide
PubChem CID10042347
Molecular FormulaC22H37NO
Molecular Weight331.54 g/mol
Exact Mass331.29
IUPAC NameN-benzyl-N-methyltetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C22H37NO/c1-3-4-5-6-7-8-9-10-11-12-16-19-22(24)23(2)20-21-17-14-13-15-18-21/h13-15,17-18H,3-12,16,19-20H2,1-2H3
InChIKeyWAOUOHFPNXMRTL-UHFFFAOYSA-N
XLogP6.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.54
LogP ≤ 56.35
H-Bond Donors ≤ 50
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-benzyl-N-methyltetradecanamide?
The IUPAC name of N-benzyl-N-methyltetradecanamide (CID 10042347) is N-benzyl-N-methyltetradecanamide.
What is the SMILES notation for N-benzyl-N-methyltetradecanamide?
The canonical SMILES for N-benzyl-N-methyltetradecanamide is CCCCCCCCCCCCCC(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyltetradecanamide?
The InChIKey is WAOUOHFPNXMRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO/c1-3-4-5-6-7-8-9-10-11-12-16-19-22(24)23(2)20-21-17-14-13-15-18-21/h13-15,17-18H,3-12,16,19-20H2,1-2H3.
What are the key properties of N-benzyl-N-methyltetradecanamide?
N-benzyl-N-methyltetradecanamide has a molecular weight of 331.54 g/mol, XLogP of 6.35, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyltetradecanamide is sourced from PubChem (CID 10042347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).