N-methyl-N-[methyl(nitroso)carbamoyl]benzamide

C10H11N3O3 — CID 86035240

IUPACN-methyl-N-[methyl(nitroso)carbamoyl]benzamide
SMILESCN(N=O)C(=O)N(C)C(=O)c1ccccc1
InChIInChI=1S/C10H11N3O3/c1-12(10(15)13(2)11-16)9(14)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyXXHLEUPOMAAFQE-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.49
Rot. Bonds2

About N-methyl-N-[methyl(nitroso)carbamoyl]benzamide

N-methyl-N-[methyl(nitroso)carbamoyl]benzamide (PubChem CID 86035240) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is N-methyl-N-[methyl(nitroso)carbamoyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[methyl(nitroso)carbamoyl]benzamide
PubChem CID86035240
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC NameN-methyl-N-[methyl(nitroso)carbamoyl]benzamide
SMILESCN(N=O)C(=O)N(C)C(=O)c1ccccc1
InChIInChI=1S/C10H11N3O3/c1-12(10(15)13(2)11-16)9(14)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyXXHLEUPOMAAFQE-UHFFFAOYSA-N
XLogP1.49
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzoyl(methyl)carbamic acid;hydrochloride
CID 70634624
N'-benzoyl-N'-tert-butyl-N-ethylbenzohydrazide
CID 19752906
N-butanoyl-N-propylbenzamide
CID 70941556
N-(benzenecarbonothioyl)-N-propylbenzamide
CID 71326670
4-benzoyl-N,N-dimethylbenzamide
CID 12779824
N-(2-aminoethyl)-N-methylbenzamide
CID 28707416
ethane;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 143933020
N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695
N-ethanethioyl-N-ethylbenzamide
CID 45118543
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
CID 174412487
CID 174412487
N-[(dimethylamino)methyl]-N-methylbenzamide
CID 12719368

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[methyl(nitroso)carbamoyl]benzamide?
The IUPAC name of N-methyl-N-[methyl(nitroso)carbamoyl]benzamide (CID 86035240) is N-methyl-N-[methyl(nitroso)carbamoyl]benzamide.
What is the SMILES notation for N-methyl-N-[methyl(nitroso)carbamoyl]benzamide?
The canonical SMILES for N-methyl-N-[methyl(nitroso)carbamoyl]benzamide is CN(N=O)C(=O)N(C)C(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[methyl(nitroso)carbamoyl]benzamide?
The InChIKey is XXHLEUPOMAAFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-12(10(15)13(2)11-16)9(14)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of N-methyl-N-[methyl(nitroso)carbamoyl]benzamide?
N-methyl-N-[methyl(nitroso)carbamoyl]benzamide has a molecular weight of 221.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[methyl(nitroso)carbamoyl]benzamide is sourced from PubChem (CID 86035240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).