N-[2-(ethoxyamino)ethyl]octadecanamide

C22H46N2O2 — CID 170842525

IUPACN-[2-(ethoxyamino)ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCNOCC
InChIInChI=1S/C22H46N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24-26-4-2/h24H,3-21H2,1-2H3,(H,23,25)
InChIKeyMJBNHKPZEIJHOZ-UHFFFAOYSA-N
MW370.62 g/mol
LogP5.91
Rot. Bonds21

About N-[2-(ethoxyamino)ethyl]octadecanamide

N-[2-(ethoxyamino)ethyl]octadecanamide (PubChem CID 170842525) has the molecular formula C22H46N2O2 and a molecular weight of 370.62 g/mol. Its IUPAC name is N-[2-(ethoxyamino)ethyl]octadecanamide.

Molecular Properties

Compound NameN-[2-(ethoxyamino)ethyl]octadecanamide
PubChem CID170842525
Molecular FormulaC22H46N2O2
Molecular Weight370.62 g/mol
Exact Mass370.36
IUPAC NameN-[2-(ethoxyamino)ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCNOCC
InChIInChI=1S/C22H46N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24-26-4-2/h24H,3-21H2,1-2H3,(H,23,25)
InChIKeyMJBNHKPZEIJHOZ-UHFFFAOYSA-N
XLogP5.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.62
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethoxyamino)ethyl]octadecanamide?
The IUPAC name of N-[2-(ethoxyamino)ethyl]octadecanamide (CID 170842525) is N-[2-(ethoxyamino)ethyl]octadecanamide.
What is the SMILES notation for N-[2-(ethoxyamino)ethyl]octadecanamide?
The canonical SMILES for N-[2-(ethoxyamino)ethyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCCNOCC.
What is the InChIKey of N-[2-(ethoxyamino)ethyl]octadecanamide?
The InChIKey is MJBNHKPZEIJHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24-26-4-2/h24H,3-21H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(ethoxyamino)ethyl]octadecanamide?
N-[2-(ethoxyamino)ethyl]octadecanamide has a molecular weight of 370.62 g/mol, XLogP of 5.91, 21 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethoxyamino)ethyl]octadecanamide is sourced from PubChem (CID 170842525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).