N-[(E)-heptan-2-ylideneamino]-4-prop-2-enoxybenzamide

C17H24N2O2 — CID 54784631

IUPACN-[(E)-heptan-2-ylideneamino]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N/N=C(\C)CCCCC)cc1
InChIInChI=1S/C17H24N2O2/c1-4-6-7-8-14(3)18-19-17(20)15-9-11-16(12-10-15)21-13-5-2/h5,9-12H,2,4,6-8,13H2,1,3H3,(H,19,20)/b18-14+
InChIKeyQCAJAWFFJZWYEP-NBVRZTHBSA-N
MW288.39 g/mol
LogP3.94
Rot. Bonds9

About N-[(E)-heptan-2-ylideneamino]-4-prop-2-enoxybenzamide

N-[(E)-heptan-2-ylideneamino]-4-prop-2-enoxybenzamide (PubChem CID 54784631) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(E)-heptan-2-ylideneamino]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[(E)-heptan-2-ylideneamino]-4-prop-2-enoxybenzamide
PubChem CID54784631
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[(E)-heptan-2-ylideneamino]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N/N=C(\C)CCCCC)cc1
InChIInChI=1S/C17H24N2O2/c1-4-6-7-8-14(3)18-19-17(20)15-9-11-16(12-10-15)21-13-5-2/h5,9-12H,2,4,6-8,13H2,1,3H3,(H,19,20)/b18-14+
InChIKeyQCAJAWFFJZWYEP-NBVRZTHBSA-N
XLogP3.94
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.94
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-heptan-2-ylideneamino]-4-phenylbenzamide
CID 54784798
N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-prop-2-enoxybenzamide
CID 6380482
N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide
CID 6232405
N-[1-(4-methoxyphenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925777
N-[1-(4-hydroxyphenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925771
N-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925774
N-(1-cyclopropylethylideneamino)-4-prop-2-enoxybenzamide
CID 4925730
4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide
CID 6134713
N-[1-(4-nitrophenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925773
N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]hexadecanamide
CID 51061289
N-[(E)-pentan-2-ylideneamino]-2-prop-2-enoxybenzamide
CID 54785708
N-[(E)-heptan-2-ylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 54784755

Frequently Asked Questions

What is the IUPAC name of N-[(E)-heptan-2-ylideneamino]-4-prop-2-enoxybenzamide?
The IUPAC name of N-[(E)-heptan-2-ylideneamino]-4-prop-2-enoxybenzamide (CID 54784631) is N-[(E)-heptan-2-ylideneamino]-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[(E)-heptan-2-ylideneamino]-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[(E)-heptan-2-ylideneamino]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)N/N=C(\C)CCCCC)cc1.
What is the InChIKey of N-[(E)-heptan-2-ylideneamino]-4-prop-2-enoxybenzamide?
The InChIKey is QCAJAWFFJZWYEP-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-6-7-8-14(3)18-19-17(20)15-9-11-16(12-10-15)21-13-5-2/h5,9-12H,2,4,6-8,13H2,1,3H3,(H,19,20)/b18-14+.
What are the key properties of N-[(E)-heptan-2-ylideneamino]-4-prop-2-enoxybenzamide?
N-[(E)-heptan-2-ylideneamino]-4-prop-2-enoxybenzamide has a molecular weight of 288.39 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-heptan-2-ylideneamino]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 54784631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).