N-(2-butanoylphenyl)-N-methylnitrous amide

C11H14N2O2 — CID 175025042

IUPACN-(2-butanoylphenyl)-N-methylnitrous amide
SMILESCCCC(=O)c1ccccc1N(C)N=O
InChIInChI=1S/C11H14N2O2/c1-3-6-11(14)9-7-4-5-8-10(9)13(2)12-15/h4-5,7-8H,3,6H2,1-2H3
InChIKeyFQOHJPYNZJHGAS-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.79
Rot. Bonds5

About N-(2-butanoylphenyl)-N-methylnitrous amide

N-(2-butanoylphenyl)-N-methylnitrous amide (PubChem CID 175025042) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is N-(2-butanoylphenyl)-N-methylnitrous amide.

Molecular Properties

Compound NameN-(2-butanoylphenyl)-N-methylnitrous amide
PubChem CID175025042
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC NameN-(2-butanoylphenyl)-N-methylnitrous amide
SMILESCCCC(=O)c1ccccc1N(C)N=O
InChIInChI=1S/C11H14N2O2/c1-3-6-11(14)9-7-4-5-8-10(9)13(2)12-15/h4-5,7-8H,3,6H2,1-2H3
InChIKeyFQOHJPYNZJHGAS-UHFFFAOYSA-N
XLogP2.79
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-butanoylphenyl)-N-methylnitrous amide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydroxyphenyl)butan-1-one
CID 23094385
1-[2-(2-hydroxypropan-2-yl)phenyl]butan-1-one
CID 175087395
1-[2-[2-[bis(2-chloroethyl)amino]ethoxy]phenyl]butan-1-one
CID 3788085
1-[2-[2-(diethylamino)ethoxy]phenyl]butan-1-one
CID 30287
1-[2-(2-aminoethyl)phenyl]butan-1-one
CID 116577371
1-phenylbutan-1-one
CID 10315
1-[2-(diethoxymethoxy)phenyl]butan-1-one
CID 174440855
1-(2-octadecylphenyl)butan-1-one
CID 174561443
1-(2,3-dichlorophenyl)butan-1-one
CID 54508940
1-(2-bromo-3-methylphenyl)butan-1-one
CID 58572622
N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide
CID 175323632
1-[2-[benzyl(methyl)amino]phenyl]propan-1-one
CID 112677258

Frequently Asked Questions

What is the IUPAC name of N-(2-butanoylphenyl)-N-methylnitrous amide?
The IUPAC name of N-(2-butanoylphenyl)-N-methylnitrous amide (CID 175025042) is N-(2-butanoylphenyl)-N-methylnitrous amide.
What is the SMILES notation for N-(2-butanoylphenyl)-N-methylnitrous amide?
The canonical SMILES for N-(2-butanoylphenyl)-N-methylnitrous amide is CCCC(=O)c1ccccc1N(C)N=O.
What is the InChIKey of N-(2-butanoylphenyl)-N-methylnitrous amide?
The InChIKey is FQOHJPYNZJHGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-6-11(14)9-7-4-5-8-10(9)13(2)12-15/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of N-(2-butanoylphenyl)-N-methylnitrous amide?
N-(2-butanoylphenyl)-N-methylnitrous amide has a molecular weight of 206.25 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butanoylphenyl)-N-methylnitrous amide is sourced from PubChem (CID 175025042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).