N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide

C16H17N3O2 — CID 75306201

IUPACN-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)NN=Cc2cccc(OC)c2)cc1
InChIInChI=1S/C16H17N3O2/c1-17-14-8-6-13(7-9-14)16(20)19-18-11-12-4-3-5-15(10-12)21-2/h3-11,17H,1-2H3,(H,19,20)
InChIKeyHXYYQIHUXCGBSZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.50
Rot. Bonds5

About N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide

N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide (PubChem CID 75306201) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide
PubChem CID75306201
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)NN=Cc2cccc(OC)c2)cc1
InChIInChI=1S/C16H17N3O2/c1-17-14-8-6-13(7-9-14)16(20)19-18-11-12-4-3-5-15(10-12)21-2/h3-11,17H,1-2H3,(H,19,20)
InChIKeyHXYYQIHUXCGBSZ-UHFFFAOYSA-N
XLogP2.50
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138
4-bromo-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 6907430
4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 86809552
N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 931984
N-[(E)-(3-methoxyphenyl)methylideneamino]-4-[[4-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
CID 89119419
N-[(3-methoxyphenyl)methylideneamino]-4-[[4-[2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
CID 68900901
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5418227
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide
CID 913508
4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]benzamide
CID 75306200
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 6011810

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide?
The IUPAC name of N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide (CID 75306201) is N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide?
The canonical SMILES for N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide is CNc1ccc(C(=O)NN=Cc2cccc(OC)c2)cc1.
What is the InChIKey of N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide?
The InChIKey is HXYYQIHUXCGBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-17-14-8-6-13(7-9-14)16(20)19-18-11-12-4-3-5-15(10-12)21-2/h3-11,17H,1-2H3,(H,19,20).
What are the key properties of N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide?
N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide has a molecular weight of 283.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide is sourced from PubChem (CID 75306201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).