3-[[[amino-(3,4-dimethylanilino)methylidene]amino]methyl]-N-methylbenzamide

C18H22N4O — CID 111058801

IUPAC3-[[[amino-(3,4-dimethylanilino)methylidene]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C/N=C(\N)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H22N4O/c1-12-7-8-16(9-13(12)2)22-18(19)21-11-14-5-4-6-15(10-14)17(23)20-3/h4-10H,11H2,1-3H3,(H,20,23)(H3,19,21,22)
InChIKeyILHZUWDMHZHFSX-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.59
Rot. Bonds4

About 3-[[[amino-(3,4-dimethylanilino)methylidene]amino]methyl]-N-methylbenzamide

3-[[[amino-(3,4-dimethylanilino)methylidene]amino]methyl]-N-methylbenzamide (PubChem CID 111058801) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-[[[amino-(3,4-dimethylanilino)methylidene]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[[amino-(3,4-dimethylanilino)methylidene]amino]methyl]-N-methylbenzamide
PubChem CID111058801
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name3-[[[amino-(3,4-dimethylanilino)methylidene]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C/N=C(\N)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H22N4O/c1-12-7-8-16(9-13(12)2)22-18(19)21-11-14-5-4-6-15(10-14)17(23)20-3/h4-10H,11H2,1-3H3,(H,20,23)(H3,19,21,22)
InChIKeyILHZUWDMHZHFSX-UHFFFAOYSA-N
XLogP2.59
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 111058799
1-(3,4-dimethylphenyl)-2-[(3-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111045947
3-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]-N-methylbenzamide
CID 111058777
2-[3-[[[amino-(3,4-dimethylanilino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111801747
3-[2-[[amino-(3,4-dimethoxyanilino)methylidene]amino]ethyl]-N-methylbenzamide
CID 111817596
1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methyl]guanidine
CID 111025971
3-[[[amino-(3-propan-2-ylanilino)methylidene]amino]methyl]-N-propylbenzamide
CID 111058666
3-[[[amino-(prop-2-enylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 110918655
3-[[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111058808
3-[[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]methyl]-N-butan-2-ylbenzamide
CID 111058582
3-[2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]ethyl]-N-methylbenzamide
CID 111817606
3-[[[amino-(3,4-dimethoxyanilino)methylidene]amino]methyl]-N-butan-2-ylbenzamide;hydroiodide
CID 111058557

Frequently Asked Questions

What is the IUPAC name of 3-[[[amino-(3,4-dimethylanilino)methylidene]amino]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[[amino-(3,4-dimethylanilino)methylidene]amino]methyl]-N-methylbenzamide (CID 111058801) is 3-[[[amino-(3,4-dimethylanilino)methylidene]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[[amino-(3,4-dimethylanilino)methylidene]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[[amino-(3,4-dimethylanilino)methylidene]amino]methyl]-N-methylbenzamide is CNC(=O)c1cccc(C/N=C(\N)Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of 3-[[[amino-(3,4-dimethylanilino)methylidene]amino]methyl]-N-methylbenzamide?
The InChIKey is ILHZUWDMHZHFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-12-7-8-16(9-13(12)2)22-18(19)21-11-14-5-4-6-15(10-14)17(23)20-3/h4-10H,11H2,1-3H3,(H,20,23)(H3,19,21,22).
What are the key properties of 3-[[[amino-(3,4-dimethylanilino)methylidene]amino]methyl]-N-methylbenzamide?
3-[[[amino-(3,4-dimethylanilino)methylidene]amino]methyl]-N-methylbenzamide has a molecular weight of 310.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[amino-(3,4-dimethylanilino)methylidene]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 111058801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).