N-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide

C18H19N3O2 — CID 4925774

IUPACN-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NN=C(C)c2ccc(N)cc2)cc1
InChIInChI=1S/C18H19N3O2/c1-3-12-23-17-10-6-15(7-11-17)18(22)21-20-13(2)14-4-8-16(19)9-5-14/h3-11H,1,12,19H2,2H3,(H,21,22)
InChIKeyBNIWXYYLMVOANB-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.99
Rot. Bonds6

About N-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide

N-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide (PubChem CID 4925774) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide
PubChem CID4925774
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NN=C(C)c2ccc(N)cc2)cc1
InChIInChI=1S/C18H19N3O2/c1-3-12-23-17-10-6-15(7-11-17)18(22)21-20-13(2)14-4-8-16(19)9-5-14/h3-11H,1,12,19H2,2H3,(H,21,22)
InChIKeyBNIWXYYLMVOANB-UHFFFAOYSA-N
XLogP2.99
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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)-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-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
N-[1-(4-nitrophenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925773
N-[(E)-1-(4-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide
CID 6233039
4-amino-N-[(Z)-1-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]ethylideneamino]benzamide
CID 7955371
N-(1-cyclopropylethylideneamino)-4-prop-2-enoxybenzamide
CID 4925730
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987
N-[(E)-heptan-2-ylideneamino]-4-prop-2-enoxybenzamide
CID 54784631
4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide
CID 3435127

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide?
The IUPAC name of N-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide (CID 4925774) is N-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NN=C(C)c2ccc(N)cc2)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide?
The InChIKey is BNIWXYYLMVOANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-3-12-23-17-10-6-15(7-11-17)18(22)21-20-13(2)14-4-8-16(19)9-5-14/h3-11H,1,12,19H2,2H3,(H,21,22).
What are the key properties of N-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide?
N-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide has a molecular weight of 309.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 4925774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).