[(Z)-[acetamido(phenyl)methylidene]amino]-trimethylazanium

C12H18N3O+ — CID 13104094

IUPAC[(Z)-[acetamido(phenyl)methylidene]amino]-trimethylazanium
SMILESCC(=O)N/C(=N\[N+](C)(C)C)c1ccccc1
InChIInChI=1S/C12H17N3O/c1-10(16)13-12(14-15(2,3)4)11-8-6-5-7-9-11/h5-9H,1-4H3/p+1
InChIKeyXPUMZSWLTOXJCK-UHFFFAOYSA-O
MW220.30 g/mol
LogP1.19
Rot. Bonds2

About [(Z)-[acetamido(phenyl)methylidene]amino]-trimethylazanium

[(Z)-[acetamido(phenyl)methylidene]amino]-trimethylazanium (PubChem CID 13104094) has the molecular formula C12H18N3O+ and a molecular weight of 220.30 g/mol. Its IUPAC name is [(Z)-[acetamido(phenyl)methylidene]amino]-trimethylazanium.

Molecular Properties

Compound Name[(Z)-[acetamido(phenyl)methylidene]amino]-trimethylazanium
PubChem CID13104094
Molecular FormulaC12H18N3O+
Molecular Weight220.30 g/mol
Exact Mass220.14
IUPAC Name[(Z)-[acetamido(phenyl)methylidene]amino]-trimethylazanium
SMILESCC(=O)N/C(=N\[N+](C)(C)C)c1ccccc1
InChIInChI=1S/C12H17N3O/c1-10(16)13-12(14-15(2,3)4)11-8-6-5-7-9-11/h5-9H,1-4H3/p+1
InChIKeyXPUMZSWLTOXJCK-UHFFFAOYSA-O
XLogP1.19
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[(E)-[[(4-chlorobenzoyl)amino]-phenylmethylidene]amino]-trimethylazanium
CID 13104092
[(Z)-[acetamido(phenyl)methylidene]amino] benzoate
CID 135525655
N-[(E)-1,2-diphenylethenyl]acetamide
CID 42628257
2-acetamido-3,3-diphenylprop-2-enoic acid
CID 134870656
(Z)-3-acetamido-2-methyl-3-phenylprop-2-enoic acid
CID 14280418
N-acetyl-N'-phenylcarbamimidoyl bromide
CID 137297946
methane;molecular hydrogen;N-(1-phenylethenyl)acetamide
CID 159750182
(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione
CID 175490390
methyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate
CID 135740500
N-(N-acetyl-N'-benzylcarbamimidoyl)acetamide
CID 121007598
methyl N-(N-methoxy-C-phenylcarbonimidoyl)carbamate
CID 135526711
(Z)-3-methyl-1-phenylpent-3-en-1-one
CID 101075943

Frequently Asked Questions

What is the IUPAC name of [(Z)-[acetamido(phenyl)methylidene]amino]-trimethylazanium?
The IUPAC name of [(Z)-[acetamido(phenyl)methylidene]amino]-trimethylazanium (CID 13104094) is [(Z)-[acetamido(phenyl)methylidene]amino]-trimethylazanium.
What is the SMILES notation for [(Z)-[acetamido(phenyl)methylidene]amino]-trimethylazanium?
The canonical SMILES for [(Z)-[acetamido(phenyl)methylidene]amino]-trimethylazanium is CC(=O)N/C(=N\[N+](C)(C)C)c1ccccc1.
What is the InChIKey of [(Z)-[acetamido(phenyl)methylidene]amino]-trimethylazanium?
The InChIKey is XPUMZSWLTOXJCK-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H17N3O/c1-10(16)13-12(14-15(2,3)4)11-8-6-5-7-9-11/h5-9H,1-4H3/p+1.
What are the key properties of [(Z)-[acetamido(phenyl)methylidene]amino]-trimethylazanium?
[(Z)-[acetamido(phenyl)methylidene]amino]-trimethylazanium has a molecular weight of 220.30 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[acetamido(phenyl)methylidene]amino]-trimethylazanium is sourced from PubChem (CID 13104094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).