N-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide

C17H26N2O2 — CID 3694468

IUPACN-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide
SMILESCCCCCCC(=O)NN=C(C)c1ccc(OCC)cc1
InChIInChI=1S/C17H26N2O2/c1-4-6-7-8-9-17(20)19-18-14(3)15-10-12-16(13-11-15)21-5-2/h10-13H,4-9H2,1-3H3,(H,19,20)
InChIKeyGRDPUJQAXOKXHN-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.90
Rot. Bonds9

About N-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide

N-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide (PubChem CID 3694468) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide
PubChem CID3694468
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide
SMILESCCCCCCC(=O)NN=C(C)c1ccc(OCC)cc1
InChIInChI=1S/C17H26N2O2/c1-4-6-7-8-9-17(20)19-18-14(3)15-10-12-16(13-11-15)21-5-2/h10-13H,4-9H2,1-3H3,(H,19,20)
InChIKeyGRDPUJQAXOKXHN-UHFFFAOYSA-N
XLogP3.90
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]octanamide
CID 91972462
N-[1-(4-ethylphenyl)ethylideneamino]nonanamide
CID 4685925
N-[1-(4-ethylphenyl)ethylideneamino]heptanamide
CID 3659452
N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide
CID 6177715
N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide
CID 3558408
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide
CID 3411990
N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide
CID 6163036
N-[(Z)-1-pyridin-4-ylethylideneamino]nonanamide
CID 6373697
N-[1-(4-phenylphenyl)ethylideneamino]hexanamide
CID 3111304
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]pentanamide
CID 135799262
N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide
CID 98296453
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-2-phenylacetamide
CID 5399435

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide (CID 3694468) is N-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide is CCCCCCC(=O)NN=C(C)c1ccc(OCC)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide?
The InChIKey is GRDPUJQAXOKXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-6-7-8-9-17(20)19-18-14(3)15-10-12-16(13-11-15)21-5-2/h10-13H,4-9H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide?
N-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide has a molecular weight of 290.41 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide is sourced from PubChem (CID 3694468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).