3-(2-ethoxyethoxy)-N-hexadecylbenzamide

C27H47NO3 — CID 17139521

IUPAC3-(2-ethoxyethoxy)-N-hexadecylbenzamide
SMILESCCCCCCCCCCCCCCCCNC(=O)c1cccc(OCCOCC)c1
InChIInChI=1S/C27H47NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-27(29)25-19-18-20-26(24-25)31-23-22-30-4-2/h18-20,24H,3-17,21-23H2,1-2H3,(H,28,29)
InChIKeyRNPJPIZSZOKUQC-UHFFFAOYSA-N
MW433.68 g/mol
LogP7.31
Rot. Bonds21

About 3-(2-ethoxyethoxy)-N-hexadecylbenzamide

3-(2-ethoxyethoxy)-N-hexadecylbenzamide (PubChem CID 17139521) has the molecular formula C27H47NO3 and a molecular weight of 433.68 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-N-hexadecylbenzamide.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-N-hexadecylbenzamide
PubChem CID17139521
Molecular FormulaC27H47NO3
Molecular Weight433.68 g/mol
Exact Mass433.36
IUPAC Name3-(2-ethoxyethoxy)-N-hexadecylbenzamide
SMILESCCCCCCCCCCCCCCCCNC(=O)c1cccc(OCCOCC)c1
InChIInChI=1S/C27H47NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-27(29)25-19-18-20-26(24-25)31-23-22-30-4-2/h18-20,24H,3-17,21-23H2,1-2H3,(H,28,29)
InChIKeyRNPJPIZSZOKUQC-UHFFFAOYSA-N
XLogP7.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.68
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-butyl-3-[[3-(2-ethoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17197307
3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-(3-methoxypropyl)benzamide
CID 26160383
3-methoxy-N-tridecylbenzamide
CID 139819898
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
N-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834312
N-pentyl-3-phenylmethoxybenzamide
CID 112759707
[3-(pentylcarbamoyl)phenyl] acetate
CID 89122347
3-heptoxybenzohydrazide
CID 54793165
3-hexoxybenzohydrazide
CID 54793158
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-N-hexadecylbenzamide?
The IUPAC name of 3-(2-ethoxyethoxy)-N-hexadecylbenzamide (CID 17139521) is 3-(2-ethoxyethoxy)-N-hexadecylbenzamide.
What is the SMILES notation for 3-(2-ethoxyethoxy)-N-hexadecylbenzamide?
The canonical SMILES for 3-(2-ethoxyethoxy)-N-hexadecylbenzamide is CCCCCCCCCCCCCCCCNC(=O)c1cccc(OCCOCC)c1.
What is the InChIKey of 3-(2-ethoxyethoxy)-N-hexadecylbenzamide?
The InChIKey is RNPJPIZSZOKUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H47NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-27(29)25-19-18-20-26(24-25)31-23-22-30-4-2/h18-20,24H,3-17,21-23H2,1-2H3,(H,28,29).
What are the key properties of 3-(2-ethoxyethoxy)-N-hexadecylbenzamide?
3-(2-ethoxyethoxy)-N-hexadecylbenzamide has a molecular weight of 433.68 g/mol, XLogP of 7.31, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-N-hexadecylbenzamide is sourced from PubChem (CID 17139521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).