N-(3-amino-2,6-dimethylphenyl)-2-ethoxyacetamide

C12H18N2O2 — CID 28776914

IUPACN-(3-amino-2,6-dimethylphenyl)-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1c(C)ccc(N)c1C
InChIInChI=1S/C12H18N2O2/c1-4-16-7-11(15)14-12-8(2)5-6-10(13)9(12)3/h5-6H,4,7,13H2,1-3H3,(H,14,15)
InChIKeyTYXBIQSQFBNZRF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.86
Rot. Bonds4

About N-(3-amino-2,6-dimethylphenyl)-2-ethoxyacetamide

N-(3-amino-2,6-dimethylphenyl)-2-ethoxyacetamide (PubChem CID 28776914) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(3-amino-2,6-dimethylphenyl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(3-amino-2,6-dimethylphenyl)-2-ethoxyacetamide
PubChem CID28776914
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(3-amino-2,6-dimethylphenyl)-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1c(C)ccc(N)c1C
InChIInChI=1S/C12H18N2O2/c1-4-16-7-11(15)14-12-8(2)5-6-10(13)9(12)3/h5-6H,4,7,13H2,1-3H3,(H,14,15)
InChIKeyTYXBIQSQFBNZRF-UHFFFAOYSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2,6-dimethylphenyl)butanamide
CID 24711453
N-(6-amino-2,3-dimethylphenyl)-2-propoxyacetamide
CID 107937406
N-(3-amino-2,6-dimethylphenyl)decanamide
CID 65448531
methyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 19857501
(3-amino-2,6-dimethylphenyl)urea
CID 19820899
N-(2,6-dichloro-3-methylphenyl)-2-ethoxyacetamide
CID 64591166
2-ethoxy-N-(2-fluoro-6-methylphenyl)acetamide
CID 115909342
1-(3-amino-2,6-dimethylphenyl)-3-propylurea
CID 28785713
N-(3-amino-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103555368
tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 24700779
N-(5-amino-2-bromo-4-methylphenyl)-2-ethoxyacetamide
CID 104814501
N-(6-amino-2,3-dimethylphenyl)-2-propan-2-yloxyacetamide
CID 112601814

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,6-dimethylphenyl)-2-ethoxyacetamide?
The IUPAC name of N-(3-amino-2,6-dimethylphenyl)-2-ethoxyacetamide (CID 28776914) is N-(3-amino-2,6-dimethylphenyl)-2-ethoxyacetamide.
What is the SMILES notation for N-(3-amino-2,6-dimethylphenyl)-2-ethoxyacetamide?
The canonical SMILES for N-(3-amino-2,6-dimethylphenyl)-2-ethoxyacetamide is CCOCC(=O)Nc1c(C)ccc(N)c1C.
What is the InChIKey of N-(3-amino-2,6-dimethylphenyl)-2-ethoxyacetamide?
The InChIKey is TYXBIQSQFBNZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-16-7-11(15)14-12-8(2)5-6-10(13)9(12)3/h5-6H,4,7,13H2,1-3H3,(H,14,15).
What are the key properties of N-(3-amino-2,6-dimethylphenyl)-2-ethoxyacetamide?
N-(3-amino-2,6-dimethylphenyl)-2-ethoxyacetamide has a molecular weight of 222.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,6-dimethylphenyl)-2-ethoxyacetamide is sourced from PubChem (CID 28776914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).