4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide

C19H23N3O3 — CID 9071275

IUPAC4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1ccc(/C=N\NC(=O)c2ccc(N)cc2)cc1OCC
InChIInChI=1S/C19H23N3O3/c1-3-11-25-17-10-5-14(12-18(17)24-4-2)13-21-22-19(23)15-6-8-16(20)9-7-15/h5-10,12-13H,3-4,11,20H2,1-2H3,(H,22,23)/b21-13-
InChIKeyYLUQVVLDCXVHOH-BKUYFWCQSA-N
MW341.41 g/mol
LogP3.22
Rot. Bonds8

About 4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide

4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide (PubChem CID 9071275) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide
PubChem CID9071275
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1ccc(/C=N\NC(=O)c2ccc(N)cc2)cc1OCC
InChIInChI=1S/C19H23N3O3/c1-3-11-25-17-10-5-14(12-18(17)24-4-2)13-21-22-19(23)15-6-8-16(20)9-7-15/h5-10,12-13H,3-4,11,20H2,1-2H3,(H,22,23)/b21-13-
InChIKeyYLUQVVLDCXVHOH-BKUYFWCQSA-N
XLogP3.22
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 6909799
3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126324922
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126326152
4-amino-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide
CID 9070784
ethyl 2-[2-ethoxy-4-[(Z)-[(4-propoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 92659149
3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 126322648
N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
CID 126128178
N-[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110509384
3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 137068274
[2-ethoxy-4-[(Z)-[(4-propoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 6114040
4-amino-N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 110514915
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide (CID 9071275) is 4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide is CCCOc1ccc(/C=N\NC(=O)c2ccc(N)cc2)cc1OCC.
What is the InChIKey of 4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide?
The InChIKey is YLUQVVLDCXVHOH-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-11-25-17-10-5-14(12-18(17)24-4-2)13-21-22-19(23)15-6-8-16(20)9-7-15/h5-10,12-13H,3-4,11,20H2,1-2H3,(H,22,23)/b21-13-.
What are the key properties of 4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide?
4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide has a molecular weight of 341.41 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 9071275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).