2-[[methoxy-[(2-methylbenzoyl)amino]methylidene]amino]ethyl-dimethylazanium

C14H22N3O2+ — CID 7283332

IUPAC2-[[methoxy-[(2-methylbenzoyl)amino]methylidene]amino]ethyl-dimethylazanium
SMILESCO/C(=N\CC[NH+](C)C)NC(=O)c1ccccc1C
InChIInChI=1S/C14H21N3O2/c1-11-7-5-6-8-12(11)13(18)16-14(19-4)15-9-10-17(2)3/h5-8H,9-10H2,1-4H3,(H,15,16,18)/p+1
InChIKeyLOVSACUIBYSNGV-UHFFFAOYSA-O
MW264.35 g/mol
LogP-0.13
Rot. Bonds4

About 2-[[methoxy-[(2-methylbenzoyl)amino]methylidene]amino]ethyl-dimethylazanium

2-[[methoxy-[(2-methylbenzoyl)amino]methylidene]amino]ethyl-dimethylazanium (PubChem CID 7283332) has the molecular formula C14H22N3O2+ and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[[methoxy-[(2-methylbenzoyl)amino]methylidene]amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[[methoxy-[(2-methylbenzoyl)amino]methylidene]amino]ethyl-dimethylazanium
PubChem CID7283332
Molecular FormulaC14H22N3O2+
Molecular Weight264.35 g/mol
Exact Mass264.17
IUPAC Name2-[[methoxy-[(2-methylbenzoyl)amino]methylidene]amino]ethyl-dimethylazanium
SMILESCO/C(=N\CC[NH+](C)C)NC(=O)c1ccccc1C
InChIInChI=1S/C14H21N3O2/c1-11-7-5-6-8-12(11)13(18)16-14(19-4)15-9-10-17(2)3/h5-8H,9-10H2,1-4H3,(H,15,16,18)/p+1
InChIKeyLOVSACUIBYSNGV-UHFFFAOYSA-O
XLogP-0.13
TPSA55.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

methyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7482491
ethyl N-(2-methylbenzoyl)-N'-(3-phenylpropyl)carbamimidate
CID 7414333
2-methylpropyl N'-[3-(dimethylamino)propyl]-N-(2-methylbenzoyl)carbamimidate
CID 7218787
ethyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7338518
propan-2-yl N-(2-methylbenzoyl)-N'-(1-phenylethyl)carbamimidate
CID 4557341
[(4R)-4-[[ethoxy-[(2-methylbenzoyl)amino]methylidene]amino]pentyl]-diethylazanium
CID 7397613
2-ethoxyethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylbenzoyl)carbamimidate
CID 7264739
1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
CID 4630875
2-methyl-N-[N'-(3-phenylpropyl)carbamimidoyl]benzamide
CID 22149221
2-methyl-N-(2-nitrosoethyl)benzamide
CID 143519689
N-(hydroxymethyl)-2-methylbenzamide
CID 5234338
ethyl (E)-3-[(2-methylbenzoyl)amino]but-2-enoate
CID 6119204

Frequently Asked Questions

What is the IUPAC name of 2-[[methoxy-[(2-methylbenzoyl)amino]methylidene]amino]ethyl-dimethylazanium?
The IUPAC name of 2-[[methoxy-[(2-methylbenzoyl)amino]methylidene]amino]ethyl-dimethylazanium (CID 7283332) is 2-[[methoxy-[(2-methylbenzoyl)amino]methylidene]amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[[methoxy-[(2-methylbenzoyl)amino]methylidene]amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[[methoxy-[(2-methylbenzoyl)amino]methylidene]amino]ethyl-dimethylazanium is CO/C(=N\CC[NH+](C)C)NC(=O)c1ccccc1C.
What is the InChIKey of 2-[[methoxy-[(2-methylbenzoyl)amino]methylidene]amino]ethyl-dimethylazanium?
The InChIKey is LOVSACUIBYSNGV-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21N3O2/c1-11-7-5-6-8-12(11)13(18)16-14(19-4)15-9-10-17(2)3/h5-8H,9-10H2,1-4H3,(H,15,16,18)/p+1.
What are the key properties of 2-[[methoxy-[(2-methylbenzoyl)amino]methylidene]amino]ethyl-dimethylazanium?
2-[[methoxy-[(2-methylbenzoyl)amino]methylidene]amino]ethyl-dimethylazanium has a molecular weight of 264.35 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methoxy-[(2-methylbenzoyl)amino]methylidene]amino]ethyl-dimethylazanium is sourced from PubChem (CID 7283332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).