N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide

C15H22N2O3 — CID 110506839

IUPACN-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C/c1cccc(OC)c1OCC
InChIInChI=1S/C15H22N2O3/c1-4-6-10-14(18)17-16-11-12-8-7-9-13(19-3)15(12)20-5-2/h7-9,11H,4-6,10H2,1-3H3,(H,17,18)/b16-11+
InChIKeyIZBKVEMMTIHSBN-LFIBNONCSA-N
MW278.35 g/mol
LogP2.73
Rot. Bonds8

About N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide

N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide (PubChem CID 110506839) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide.

Molecular Properties

Compound NameN-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide
PubChem CID110506839
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C/c1cccc(OC)c1OCC
InChIInChI=1S/C15H22N2O3/c1-4-6-10-14(18)17-16-11-12-8-7-9-13(19-3)15(12)20-5-2/h7-9,11H,4-6,10H2,1-3H3,(H,17,18)/b16-11+
InChIKeyIZBKVEMMTIHSBN-LFIBNONCSA-N
XLogP2.73
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide
CID 51060988
N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 5244595
N-[(Z)-(2-ethoxyphenyl)methylideneamino]pentanamide
CID 5381098
N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 5115888
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]hexanamide
CID 135458849
N-(2,3-dimethylphenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]butanediamide
CID 3270963
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide
CID 135533696
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide
CID 4127873
N-(2-chlorophenyl)-N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 5111842
N-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509480
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]dodecanamide
CID 3536495
N-[2-[2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 3630521

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide?
The IUPAC name of N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide (CID 110506839) is N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide.
What is the SMILES notation for N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide?
The canonical SMILES for N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide is CCCCC(=O)N/N=C/c1cccc(OC)c1OCC.
What is the InChIKey of N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide?
The InChIKey is IZBKVEMMTIHSBN-LFIBNONCSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-6-10-14(18)17-16-11-12-8-7-9-13(19-3)15(12)20-5-2/h7-9,11H,4-6,10H2,1-3H3,(H,17,18)/b16-11+.
What are the key properties of N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide?
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide has a molecular weight of 278.35 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide is sourced from PubChem (CID 110506839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).