N-ethylidene-16-methylheptadecanamide

C20H39NO — CID 174538521

IUPACN-ethylidene-16-methylheptadecanamide
SMILESC/C=N/C(=O)CCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C20H39NO/c1-4-21-20(22)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19(2)3/h4,19H,5-18H2,1-3H3/b21-4+
InChIKeyBHFYAYSSWQHWFU-IPBDZQFASA-N
MW309.54 g/mol
LogP6.72
Rot. Bonds15

About N-ethylidene-16-methylheptadecanamide

N-ethylidene-16-methylheptadecanamide (PubChem CID 174538521) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is N-ethylidene-16-methylheptadecanamide.

Molecular Properties

Compound NameN-ethylidene-16-methylheptadecanamide
PubChem CID174538521
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC NameN-ethylidene-16-methylheptadecanamide
SMILESC/C=N/C(=O)CCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C20H39NO/c1-4-21-20(22)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19(2)3/h4,19H,5-18H2,1-3H3/b21-4+
InChIKeyBHFYAYSSWQHWFU-IPBDZQFASA-N
XLogP6.72
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethylidene-16-methylheptadecanamide?
The IUPAC name of N-ethylidene-16-methylheptadecanamide (CID 174538521) is N-ethylidene-16-methylheptadecanamide.
What is the SMILES notation for N-ethylidene-16-methylheptadecanamide?
The canonical SMILES for N-ethylidene-16-methylheptadecanamide is C/C=N/C(=O)CCCCCCCCCCCCCCC(C)C.
What is the InChIKey of N-ethylidene-16-methylheptadecanamide?
The InChIKey is BHFYAYSSWQHWFU-IPBDZQFASA-N. The full InChI is InChI=1S/C20H39NO/c1-4-21-20(22)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19(2)3/h4,19H,5-18H2,1-3H3/b21-4+.
What are the key properties of N-ethylidene-16-methylheptadecanamide?
N-ethylidene-16-methylheptadecanamide has a molecular weight of 309.54 g/mol, XLogP of 6.72, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylidene-16-methylheptadecanamide is sourced from PubChem (CID 174538521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).