N-[(E)-pentan-2-ylideneamino]-2-prop-2-enoxybenzamide

C15H20N2O2 — CID 54785708

IUPACN-[(E)-pentan-2-ylideneamino]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)N/N=C(\C)CCC
InChIInChI=1S/C15H20N2O2/c1-4-8-12(3)16-17-15(18)13-9-6-7-10-14(13)19-11-5-2/h5-7,9-10H,2,4,8,11H2,1,3H3,(H,17,18)/b16-12+
InChIKeyRFYAJVQATAYQFA-FOWTUZBSSA-N
MW260.34 g/mol
LogP3.16
Rot. Bonds7

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

N-[(E)-pentan-2-ylideneamino]-2-prop-2-enoxybenzamide (PubChem CID 54785708) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(E)-pentan-2-ylideneamino]-2-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[(E)-pentan-2-ylideneamino]-2-prop-2-enoxybenzamide
PubChem CID54785708
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[(E)-pentan-2-ylideneamino]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)N/N=C(\C)CCC
InChIInChI=1S/C15H20N2O2/c1-4-8-12(3)16-17-15(18)13-9-6-7-10-14(13)19-11-5-2/h5-7,9-10H,2,4,8,11H2,1,3H3,(H,17,18)/b16-12+
InChIKeyRFYAJVQATAYQFA-FOWTUZBSSA-N
XLogP3.16
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(E)-pentan-2-ylideneamino]-2-prop-2-enoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-hydroxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928960
N-[1-(furan-2-yl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928992
N-[1-(4-hydroxyphenyl)propylideneamino]-2-prop-2-enoxybenzamide
CID 4928957
N-(1-naphthalen-2-ylethylideneamino)-2-prop-2-enoxybenzamide
CID 4928953
N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 54788819
N-[(E)-heptan-2-ylideneamino]-2-phenylmethoxybenzamide
CID 54784658
N'-hexanoyl-2-prop-2-enoxybenzohydrazide
CID 4953986
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928995
N'-heptanoyl-2-prop-2-enoxybenzohydrazide
CID 54789258
N-[(E)-heptan-2-ylideneamino]-4-prop-2-enoxybenzamide
CID 54784631
N-(1-phenylbutylideneamino)-2-propoxybenzamide
CID 4931478
N-(2-ethylbutyl)-2-prop-2-enoxybenzamide
CID 115612991

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pentan-2-ylideneamino]-2-prop-2-enoxybenzamide?
The IUPAC name of N-[(E)-pentan-2-ylideneamino]-2-prop-2-enoxybenzamide (CID 54785708) is N-[(E)-pentan-2-ylideneamino]-2-prop-2-enoxybenzamide.
What is the SMILES notation for N-[(E)-pentan-2-ylideneamino]-2-prop-2-enoxybenzamide?
The canonical SMILES for N-[(E)-pentan-2-ylideneamino]-2-prop-2-enoxybenzamide is C=CCOc1ccccc1C(=O)N/N=C(\C)CCC.
What is the InChIKey of N-[(E)-pentan-2-ylideneamino]-2-prop-2-enoxybenzamide?
The InChIKey is RFYAJVQATAYQFA-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-8-12(3)16-17-15(18)13-9-6-7-10-14(13)19-11-5-2/h5-7,9-10H,2,4,8,11H2,1,3H3,(H,17,18)/b16-12+.
What are the key properties of N-[(E)-pentan-2-ylideneamino]-2-prop-2-enoxybenzamide?
N-[(E)-pentan-2-ylideneamino]-2-prop-2-enoxybenzamide has a molecular weight of 260.34 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pentan-2-ylideneamino]-2-prop-2-enoxybenzamide is sourced from PubChem (CID 54785708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).