N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]pentanamide

C14H19ClN2O2 — CID 110506895

IUPACN-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C/c1ccc(OCC)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-3-5-6-14(18)17-16-10-11-7-8-13(19-4-2)12(15)9-11/h7-10H,3-6H2,1-2H3,(H,17,18)/b16-10+
InChIKeyAKAABASRRFHAHE-MHWRWJLKSA-N
MW282.77 g/mol
LogP3.38
Rot. Bonds7

About N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]pentanamide

N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]pentanamide (PubChem CID 110506895) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]pentanamide.

Molecular Properties

Compound NameN-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]pentanamide
PubChem CID110506895
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C/c1ccc(OCC)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-3-5-6-14(18)17-16-10-11-7-8-13(19-4-2)12(15)9-11/h7-10H,3-6H2,1-2H3,(H,17,18)/b16-10+
InChIKeyAKAABASRRFHAHE-MHWRWJLKSA-N
XLogP3.38
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]pentanamide?
The IUPAC name of N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]pentanamide (CID 110506895) is N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]pentanamide.
What is the SMILES notation for N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]pentanamide?
The canonical SMILES for N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]pentanamide is CCCCC(=O)N/N=C/c1ccc(OCC)c(Cl)c1.
What is the InChIKey of N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]pentanamide?
The InChIKey is AKAABASRRFHAHE-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-3-5-6-14(18)17-16-10-11-7-8-13(19-4-2)12(15)9-11/h7-10H,3-6H2,1-2H3,(H,17,18)/b16-10+.
What are the key properties of N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]pentanamide?
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]pentanamide has a molecular weight of 282.77 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]pentanamide is sourced from PubChem (CID 110506895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).