N-(anilinomethyl)-N-methylacetamide

C10H14N2O — CID 102126839

IUPACN-(anilinomethyl)-N-methylacetamide
SMILESCC(=O)N(C)CNc1ccccc1
InChIInChI=1S/C10H14N2O/c1-9(13)12(2)8-11-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3
InChIKeyWAZKIPSVNJRKGI-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.53
Rot. Bonds3

About N-(anilinomethyl)-N-methylacetamide

N-(anilinomethyl)-N-methylacetamide (PubChem CID 102126839) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N-(anilinomethyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(anilinomethyl)-N-methylacetamide
PubChem CID102126839
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN-(anilinomethyl)-N-methylacetamide
SMILESCC(=O)N(C)CNc1ccccc1
InChIInChI=1S/C10H14N2O/c1-9(13)12(2)8-11-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3
InChIKeyWAZKIPSVNJRKGI-UHFFFAOYSA-N
XLogP1.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-anilinoethyl 2-[acetyl(methyl)amino]acetate
CID 70658920
2-[anilinomethyl(methyl)amino]-N,N-dimethylacetamide
CID 141036638
N-ethylaniline;propanedioic acid
CID 67742199
3-anilino-N,N-dimethylpropanamide
CID 60961994
3-(2-anilinoethyl)-1,1-dimethylurea
CID 142040993
N-methyl-N-phenacylacetamide
CID 15482185
bis(N-ethylaniline);sulfuric acid
CID 172710683
2-anilino-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 60683095
acetic acid;N-methoxyaniline
CID 174899473
N'-(anilinomethyl)-N,N'-diphenylmethanediamine
CID 20668878
(E)-5-anilino-4-methylpent-3-en-2-one
CID 143995368
bis(N-ethylaniline);sulfuric acid;dihydrate
CID 172803236

Frequently Asked Questions

What is the IUPAC name of N-(anilinomethyl)-N-methylacetamide?
The IUPAC name of N-(anilinomethyl)-N-methylacetamide (CID 102126839) is N-(anilinomethyl)-N-methylacetamide.
What is the SMILES notation for N-(anilinomethyl)-N-methylacetamide?
The canonical SMILES for N-(anilinomethyl)-N-methylacetamide is CC(=O)N(C)CNc1ccccc1.
What is the InChIKey of N-(anilinomethyl)-N-methylacetamide?
The InChIKey is WAZKIPSVNJRKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-9(13)12(2)8-11-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3.
What are the key properties of N-(anilinomethyl)-N-methylacetamide?
N-(anilinomethyl)-N-methylacetamide has a molecular weight of 178.23 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(anilinomethyl)-N-methylacetamide is sourced from PubChem (CID 102126839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).