4-isocyano-N-methoxy-N-methylbenzamide

C10H10N2O2 — CID 59354859

IUPAC4-isocyano-N-methoxy-N-methylbenzamide
SMILES[C-]#[N+]c1ccc(C(=O)N(C)OC)cc1
InChIInChI=1S/C10H10N2O2/c1-11-9-6-4-8(5-7-9)10(13)12(2)14-3/h4-7H,2-3H3
InChIKeyYHVYNBSEPJXLMV-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.87
Rot. Bonds2

About 4-isocyano-N-methoxy-N-methylbenzamide

4-isocyano-N-methoxy-N-methylbenzamide (PubChem CID 59354859) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-isocyano-N-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-isocyano-N-methoxy-N-methylbenzamide
PubChem CID59354859
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name4-isocyano-N-methoxy-N-methylbenzamide
SMILES[C-]#[N+]c1ccc(C(=O)N(C)OC)cc1
InChIInChI=1S/C10H10N2O2/c1-11-9-6-4-8(5-7-9)10(13)12(2)14-3/h4-7H,2-3H3
InChIKeyYHVYNBSEPJXLMV-UHFFFAOYSA-N
XLogP1.87
TPSA33.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-isocyano-N,N-bis(2-methoxyethyl)benzamide
CID 140732662
N-methoxy-N-methyl-4-(methylamino)benzamide
CID 130666687
4-isocyano-N-methyl-N-phenylbenzamide
CID 58453064
ethane;4-fluoro-N-methoxy-N-methylbenzamide;methanethiol
CID 143189438
N-methoxy-N,3,4-trimethylbenzamide
CID 14973055
tert-butyl 4-isocyanobenzoate
CID 91619162
4-isocyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 123781612
4-(2-amino-2-oxoethoxy)-N-methoxy-N-methylbenzamide
CID 47119792
3-amino-N-methoxy-N,4-dimethylbenzamide
CID 43627456
1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide
CID 71406304
4-isocyano-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 123896887
5-tert-butyl-1-N,3-N-dimethoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 58045996

Frequently Asked Questions

What is the IUPAC name of 4-isocyano-N-methoxy-N-methylbenzamide?
The IUPAC name of 4-isocyano-N-methoxy-N-methylbenzamide (CID 59354859) is 4-isocyano-N-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-isocyano-N-methoxy-N-methylbenzamide?
The canonical SMILES for 4-isocyano-N-methoxy-N-methylbenzamide is [C-]#[N+]c1ccc(C(=O)N(C)OC)cc1.
What is the InChIKey of 4-isocyano-N-methoxy-N-methylbenzamide?
The InChIKey is YHVYNBSEPJXLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-11-9-6-4-8(5-7-9)10(13)12(2)14-3/h4-7H,2-3H3.
What are the key properties of 4-isocyano-N-methoxy-N-methylbenzamide?
4-isocyano-N-methoxy-N-methylbenzamide has a molecular weight of 190.20 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isocyano-N-methoxy-N-methylbenzamide is sourced from PubChem (CID 59354859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).