N-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide

C15H22N2O2 — CID 6379049

IUPACN-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C(\CC)c1ccc(OC)cc1
InChIInChI=1S/C15H22N2O2/c1-4-6-7-15(18)17-16-14(5-2)12-8-10-13(19-3)11-9-12/h8-11H,4-7H2,1-3H3,(H,17,18)/b16-14+
InChIKeyXRTQBXJHNVNQAR-JQIJEIRASA-N
MW262.35 g/mol
LogP3.12
Rot. Bonds7

About N-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide

N-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide (PubChem CID 6379049) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide.

Molecular Properties

Compound NameN-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide
PubChem CID6379049
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C(\CC)c1ccc(OC)cc1
InChIInChI=1S/C15H22N2O2/c1-4-6-7-15(18)17-16-14(5-2)12-8-10-13(19-3)11-9-12/h8-11H,4-7H2,1-3H3,(H,17,18)/b16-14+
InChIKeyXRTQBXJHNVNQAR-JQIJEIRASA-N
XLogP3.12
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.12
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)-1-(4-methoxyphenyl)propylideneamino]pentanamide?
The IUPAC name of N-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide (CID 6379049) is N-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide.
What is the SMILES notation for N-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide?
The canonical SMILES for N-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide is CCCCC(=O)N/N=C(\CC)c1ccc(OC)cc1.
What is the InChIKey of N-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide?
The InChIKey is XRTQBXJHNVNQAR-JQIJEIRASA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-6-7-15(18)17-16-14(5-2)12-8-10-13(19-3)11-9-12/h8-11H,4-7H2,1-3H3,(H,17,18)/b16-14+.
What are the key properties of N-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide?
N-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide has a molecular weight of 262.35 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide is sourced from PubChem (CID 6379049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).