4-amino-N-methoxy-N-methylbenzamide;carbanide;methane;N-methoxy-N-methyl-4-nitrobenzamide;palladium

C20H29N4O6Pd- — CID 162020244

IUPAC4-amino-N-methoxy-N-methylbenzamide;carbanide;methane;N-methoxy-N-methyl-4-nitrobenzamide;palladium
SMILESC.CON(C)C(=O)c1ccc(N)cc1.CON(C)C(=O)c1ccc([N+](=O)[O-])cc1.[CH3-].[Pd]
InChIInChI=1S/C9H10N2O4.C9H12N2O2.CH4.CH3.Pd/c1-10(15-2)9(12)7-3-5-8(6-4-7)11(13)14;1-11(13-2)9(12)7-3-5-8(10)6-4-7;;;/h3-6H,1-2H3;3-6H,10H2,1-2H3;1H4;1H3;/q;;;-1;
InChIKeyOBZFQKSRECDQMN-UHFFFAOYSA-N
MW527.89 g/mol
LogP3.21
Rot. Bonds5

About 4-amino-N-methoxy-N-methylbenzamide;carbanide;methane;N-methoxy-N-methyl-4-nitrobenzamide;palladium

4-amino-N-methoxy-N-methylbenzamide;carbanide;methane;N-methoxy-N-methyl-4-nitrobenzamide;palladium (PubChem CID 162020244) has the molecular formula C20H29N4O6Pd- and a molecular weight of 527.89 g/mol. Its IUPAC name is 4-amino-N-methoxy-N-methylbenzamide;carbanide;methane;N-methoxy-N-methyl-4-nitrobenzamide;palladium.

Molecular Properties

Compound Name4-amino-N-methoxy-N-methylbenzamide;carbanide;methane;N-methoxy-N-methyl-4-nitrobenzamide;palladium
PubChem CID162020244
Molecular FormulaC20H29N4O6Pd-
Molecular Weight527.89 g/mol
Exact Mass527.11
IUPAC Name4-amino-N-methoxy-N-methylbenzamide;carbanide;methane;N-methoxy-N-methyl-4-nitrobenzamide;palladium
SMILESC.CON(C)C(=O)c1ccc(N)cc1.CON(C)C(=O)c1ccc([N+](=O)[O-])cc1.[CH3-].[Pd]
InChIInChI=1S/C9H10N2O4.C9H12N2O2.CH4.CH3.Pd/c1-10(15-2)9(12)7-3-5-8(6-4-7)11(13)14;1-11(13-2)9(12)7-3-5-8(10)6-4-7;;;/h3-6H,1-2H3;3-6H,10H2,1-2H3;1H4;1H3;/q;;;-1;
InChIKeyOBZFQKSRECDQMN-UHFFFAOYSA-N
XLogP3.21
TPSA128.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.89
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)ethanone;1-(4-nitrophenyl)ethanone
CID 174531319
N,N-bis[4-(4-aminophenyl)phenyl]-4-nitrobenzamide
CID 141325798
methanamine;4-nitroaniline
CID 22708932
4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide
CID 91087652
N-methoxy-N-methyl-5-nitropyridine-2-carboxamide
CID 169122058
ethyl (Z)-2-[methoxy(methyl)amino]-4-(4-nitrophenyl)-4-oxobut-2-enoate
CID 102256861
methyl 4-[methyl-[4-[methyl-[4-[methyl-(4-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]benzoate
CID 132533381
sodium;hydride;4-nitroaniline
CID 174897540
methyl 4-[2-(4-aminophenyl)ethyl]benzoate;methyl 4-[(E)-2-(4-nitrophenyl)ethenyl]benzoate
CID 158867774
methyl 3-(N-methyl-4-nitroanilino)propanoate;4-nitroaniline
CID 161177760
arsoric acid;tris(4-nitroaniline)
CID 175201940
dihydroxy(oxo)phosphanium;4-nitroaniline
CID 174379615

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methoxy-N-methylbenzamide;carbanide;methane;N-methoxy-N-methyl-4-nitrobenzamide;palladium?
The IUPAC name of 4-amino-N-methoxy-N-methylbenzamide;carbanide;methane;N-methoxy-N-methyl-4-nitrobenzamide;palladium (CID 162020244) is 4-amino-N-methoxy-N-methylbenzamide;carbanide;methane;N-methoxy-N-methyl-4-nitrobenzamide;palladium.
What is the SMILES notation for 4-amino-N-methoxy-N-methylbenzamide;carbanide;methane;N-methoxy-N-methyl-4-nitrobenzamide;palladium?
The canonical SMILES for 4-amino-N-methoxy-N-methylbenzamide;carbanide;methane;N-methoxy-N-methyl-4-nitrobenzamide;palladium is C.CON(C)C(=O)c1ccc(N)cc1.CON(C)C(=O)c1ccc([N+](=O)[O-])cc1.[CH3-].[Pd].
What is the InChIKey of 4-amino-N-methoxy-N-methylbenzamide;carbanide;methane;N-methoxy-N-methyl-4-nitrobenzamide;palladium?
The InChIKey is OBZFQKSRECDQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4.C9H12N2O2.CH4.CH3.Pd/c1-10(15-2)9(12)7-3-5-8(6-4-7)11(13)14;1-11(13-2)9(12)7-3-5-8(10)6-4-7;;;/h3-6H,1-2H3;3-6H,10H2,1-2H3;1H4;1H3;/q;;;-1;.
What are the key properties of 4-amino-N-methoxy-N-methylbenzamide;carbanide;methane;N-methoxy-N-methyl-4-nitrobenzamide;palladium?
4-amino-N-methoxy-N-methylbenzamide;carbanide;methane;N-methoxy-N-methyl-4-nitrobenzamide;palladium has a molecular weight of 527.89 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methoxy-N-methylbenzamide;carbanide;methane;N-methoxy-N-methyl-4-nitrobenzamide;palladium is sourced from PubChem (CID 162020244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).