4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide

C18H21N3O3 — CID 6909799

IUPAC4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1ccc(/C=N/NC(=O)c2ccc(N)cc2)cc1OC
InChIInChI=1S/C18H21N3O3/c1-3-10-24-16-9-4-13(11-17(16)23-2)12-20-21-18(22)14-5-7-15(19)8-6-14/h4-9,11-12H,3,10,19H2,1-2H3,(H,21,22)/b20-12+
InChIKeyMFOQLWPFRBDQOU-UDWIEESQSA-N
MW327.38 g/mol
LogP2.83
Rot. Bonds7

About 4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide

4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide (PubChem CID 6909799) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide
PubChem CID6909799
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1ccc(/C=N/NC(=O)c2ccc(N)cc2)cc1OC
InChIInChI=1S/C18H21N3O3/c1-3-10-24-16-9-4-13(11-17(16)23-2)12-20-21-18(22)14-5-7-15(19)8-6-14/h4-9,11-12H,3,10,19H2,1-2H3,(H,21,22)/b20-12+
InChIKeyMFOQLWPFRBDQOU-UDWIEESQSA-N
XLogP2.83
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.83
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'}

Analyze 4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide 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

4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 9071275
3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126324922
4-amino-N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 110514915
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126326152
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6894142
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658847
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126322296
N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 70231096
4-ethoxy-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]benzamide
CID 17373127
2-amino-N-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 110522484
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6894146
4-butyl-N-[(E)-(3-methoxy-4-octoxyphenyl)methylideneamino]benzamide
CID 124551504

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide (CID 6909799) is 4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide is CCCOc1ccc(/C=N/NC(=O)c2ccc(N)cc2)cc1OC.
What is the InChIKey of 4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide?
The InChIKey is MFOQLWPFRBDQOU-UDWIEESQSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-10-24-16-9-4-13(11-17(16)23-2)12-20-21-18(22)14-5-7-15(19)8-6-14/h4-9,11-12H,3,10,19H2,1-2H3,(H,21,22)/b20-12+.
What are the key properties of 4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide?
4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide has a molecular weight of 327.38 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6909799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).