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

C17H19N3O2 — CID 110340423

IUPAC2-amino-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1cccc(/C=N/NC(=O)c2ccccc2N)c1
InChIInChI=1S/C17H19N3O2/c1-2-10-22-14-7-5-6-13(11-14)12-19-20-17(21)15-8-3-4-9-16(15)18/h3-9,11-12H,2,10,18H2,1H3,(H,20,21)/b19-12+
InChIKeyAOXWFPVGLQJMHC-XDHOZWIPSA-N
MW297.36 g/mol
LogP2.82
Rot. Bonds6

About 2-amino-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide

2-amino-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide (PubChem CID 110340423) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-amino-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
PubChem CID110340423
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-amino-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1cccc(/C=N/NC(=O)c2ccccc2N)c1
InChIInChI=1S/C17H19N3O2/c1-2-10-22-14-7-5-6-13(11-14)12-19-20-17(21)15-8-3-4-9-16(15)18/h3-9,11-12H,2,10,18H2,1H3,(H,20,21)/b19-12+
InChIKeyAOXWFPVGLQJMHC-XDHOZWIPSA-N
XLogP2.82
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 19061075
2-amino-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 21370999
2-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 110337163
2-amino-N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 21370994
2,4-dichloro-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 110340424
N-methyl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989199
4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 17246375
2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 87421764
2-amino-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]benzamide
CID 110339969
2-methoxy-N-[2-oxo-2-[2-[(3-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 3948126
[(3-butoxyphenyl)methylideneamino]urea
CID 168531918
4-amino-N-[(E)-[3-(2-hydroxyethoxy)phenyl]methylideneamino]benzamide
CID 143915678

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-amino-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide (CID 110340423) is 2-amino-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide is CCCOc1cccc(/C=N/NC(=O)c2ccccc2N)c1.
What is the InChIKey of 2-amino-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide?
The InChIKey is AOXWFPVGLQJMHC-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-2-10-22-14-7-5-6-13(11-14)12-19-20-17(21)15-8-3-4-9-16(15)18/h3-9,11-12H,2,10,18H2,1H3,(H,20,21)/b19-12+.
What are the key properties of 2-amino-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide?
2-amino-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide has a molecular weight of 297.36 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 110340423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).