4-acetamido-N-[(1,2,5-trimethylpyrrol-3-yl)methylideneamino]benzamide

C17H20N4O2 — CID 967704

IUPAC4-acetamido-N-[(1,2,5-trimethylpyrrol-3-yl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NN=Cc2cc(C)n(C)c2C)cc1
InChIInChI=1S/C17H20N4O2/c1-11-9-15(12(2)21(11)4)10-18-20-17(23)14-5-7-16(8-6-14)19-13(3)22/h5-10H,1-4H3,(H,19,22)(H,20,23)
InChIKeyOSYNAOJOKBQJIA-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.36
Rot. Bonds4

About 4-acetamido-N-[(1,2,5-trimethylpyrrol-3-yl)methylideneamino]benzamide

4-acetamido-N-[(1,2,5-trimethylpyrrol-3-yl)methylideneamino]benzamide (PubChem CID 967704) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-acetamido-N-[(1,2,5-trimethylpyrrol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(1,2,5-trimethylpyrrol-3-yl)methylideneamino]benzamide
PubChem CID967704
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name4-acetamido-N-[(1,2,5-trimethylpyrrol-3-yl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NN=Cc2cc(C)n(C)c2C)cc1
InChIInChI=1S/C17H20N4O2/c1-11-9-15(12(2)21(11)4)10-18-20-17(23)14-5-7-16(8-6-14)19-13(3)22/h5-10H,1-4H3,(H,19,22)(H,20,23)
InChIKeyOSYNAOJOKBQJIA-UHFFFAOYSA-N
XLogP2.36
TPSA75.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.36
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-acetamido-N-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]benzamide
CID 3992781
4-acetamido-N-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylideneamino]benzamide
CID 3690856
4-acetamido-N-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylideneamino]benzamide
CID 3568974
4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 689755
2-chloro-4-methyl-N-[(Z)-(1,2,5-trimethylpyrrol-3-yl)methylideneamino]benzamide
CID 126057715
4-acetamido-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 910371
N-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-methylbenzamide
CID 92851154
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
ethyl 4-[3-[[(3-acetamidobenzoyl)hydrazinylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate
CID 4309050
3-acetamido-N-[[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide
CID 3999217
4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 771334
4-tert-butyl-N-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide
CID 3313861

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(1,2,5-trimethylpyrrol-3-yl)methylideneamino]benzamide?
The IUPAC name of 4-acetamido-N-[(1,2,5-trimethylpyrrol-3-yl)methylideneamino]benzamide (CID 967704) is 4-acetamido-N-[(1,2,5-trimethylpyrrol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-N-[(1,2,5-trimethylpyrrol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 4-acetamido-N-[(1,2,5-trimethylpyrrol-3-yl)methylideneamino]benzamide is CC(=O)Nc1ccc(C(=O)NN=Cc2cc(C)n(C)c2C)cc1.
What is the InChIKey of 4-acetamido-N-[(1,2,5-trimethylpyrrol-3-yl)methylideneamino]benzamide?
The InChIKey is OSYNAOJOKBQJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11-9-15(12(2)21(11)4)10-18-20-17(23)14-5-7-16(8-6-14)19-13(3)22/h5-10H,1-4H3,(H,19,22)(H,20,23).
What are the key properties of 4-acetamido-N-[(1,2,5-trimethylpyrrol-3-yl)methylideneamino]benzamide?
4-acetamido-N-[(1,2,5-trimethylpyrrol-3-yl)methylideneamino]benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(1,2,5-trimethylpyrrol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 967704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).