2-methyl-N-(2-nitrosoethyl)benzamide

C10H12N2O2 — CID 143519689

IUPAC2-methyl-N-(2-nitrosoethyl)benzamide
SMILESCc1ccccc1C(=O)NCCN=O
InChIInChI=1S/C10H12N2O2/c1-8-4-2-3-5-9(8)10(13)11-6-7-12-14/h2-5H,6-7H2,1H3,(H,11,13)
InChIKeyFHDNWVSALXTULC-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.49
Rot. Bonds4

About 2-methyl-N-(2-nitrosoethyl)benzamide

2-methyl-N-(2-nitrosoethyl)benzamide (PubChem CID 143519689) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-methyl-N-(2-nitrosoethyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(2-nitrosoethyl)benzamide
PubChem CID143519689
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-methyl-N-(2-nitrosoethyl)benzamide
SMILESCc1ccccc1C(=O)NCCN=O
InChIInChI=1S/C10H12N2O2/c1-8-4-2-3-5-9(8)10(13)11-6-7-12-14/h2-5H,6-7H2,1H3,(H,11,13)
InChIKeyFHDNWVSALXTULC-UHFFFAOYSA-N
XLogP1.49
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743
N-(hydroxymethyl)-2-methylbenzamide
CID 5234338
N-(3-bromopropyl)-2-methylbenzamide
CID 43133629
N-hexyl-2-methylbenzamide
CID 3017102
N-(4-bromobutyl)-2-methylbenzamide
CID 106845968
N-[2-(2-chloropropanoylamino)ethyl]-2-methylbenzamide
CID 108574801
phenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate
CID 108574783
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
N-[2-(cyclopropylamino)ethyl]-2-methylbenzamide
CID 62663478
N-[(dimethylamino)methyl]-2-methylbenzamide
CID 67624413
N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide
CID 113430408
2-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945880

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-nitrosoethyl)benzamide?
The IUPAC name of 2-methyl-N-(2-nitrosoethyl)benzamide (CID 143519689) is 2-methyl-N-(2-nitrosoethyl)benzamide.
What is the SMILES notation for 2-methyl-N-(2-nitrosoethyl)benzamide?
The canonical SMILES for 2-methyl-N-(2-nitrosoethyl)benzamide is Cc1ccccc1C(=O)NCCN=O.
What is the InChIKey of 2-methyl-N-(2-nitrosoethyl)benzamide?
The InChIKey is FHDNWVSALXTULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-8-4-2-3-5-9(8)10(13)11-6-7-12-14/h2-5H,6-7H2,1H3,(H,11,13).
What are the key properties of 2-methyl-N-(2-nitrosoethyl)benzamide?
2-methyl-N-(2-nitrosoethyl)benzamide has a molecular weight of 192.22 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-nitrosoethyl)benzamide is sourced from PubChem (CID 143519689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).