N-(2-amino-6-methylphenyl)-2-(2-methylpropoxy)acetamide

C13H20N2O2 — CID 43376602

IUPACN-(2-amino-6-methylphenyl)-2-(2-methylpropoxy)acetamide
SMILESCc1cccc(N)c1NC(=O)COCC(C)C
InChIInChI=1S/C13H20N2O2/c1-9(2)7-17-8-12(16)15-13-10(3)5-4-6-11(13)14/h4-6,9H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyPOFCSZXLENMIRO-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.19
Rot. Bonds5

About N-(2-amino-6-methylphenyl)-2-(2-methylpropoxy)acetamide

N-(2-amino-6-methylphenyl)-2-(2-methylpropoxy)acetamide (PubChem CID 43376602) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-2-(2-methylpropoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-2-(2-methylpropoxy)acetamide
PubChem CID43376602
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(2-amino-6-methylphenyl)-2-(2-methylpropoxy)acetamide
SMILESCc1cccc(N)c1NC(=O)COCC(C)C
InChIInChI=1S/C13H20N2O2/c1-9(2)7-17-8-12(16)15-13-10(3)5-4-6-11(13)14/h4-6,9H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyPOFCSZXLENMIRO-UHFFFAOYSA-N
XLogP2.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.19
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-(2-amino-6-methylphenyl)-2-methoxyacetamide
CID 43376359
N-(2-amino-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 43376385
N-(2-amino-6-methylphenyl)-2-heptoxyacetamide
CID 43376791
N-(2-amino-6-methylphenyl)-2-(4,4,4-trifluorobutoxy)acetamide
CID 82788195
N-(2-amino-6-methylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61287148
N-(2-amino-6-methylphenyl)-2-[butan-2-yl(ethyl)amino]acetamide
CID 43376010
N-(2-amino-4-methylphenyl)-2-(2-methylpropoxy)acetamide
CID 43376605
N-(2-amino-6-methylphenyl)-2-(2-methylphenyl)acetamide
CID 43152283
N-(2-amino-6-methylphenyl)-2-(oxolan-3-yloxy)acetamide
CID 55218804
N-(2-amino-6-methylphenyl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 43376738
[2-(2,6-dimethylanilino)-2-oxoethyl] acetate
CID 716418
N-(2-amino-6-methylphenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide
CID 55174325

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-2-(2-methylpropoxy)acetamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-2-(2-methylpropoxy)acetamide (CID 43376602) is N-(2-amino-6-methylphenyl)-2-(2-methylpropoxy)acetamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-2-(2-methylpropoxy)acetamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-2-(2-methylpropoxy)acetamide is Cc1cccc(N)c1NC(=O)COCC(C)C.
What is the InChIKey of N-(2-amino-6-methylphenyl)-2-(2-methylpropoxy)acetamide?
The InChIKey is POFCSZXLENMIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)7-17-8-12(16)15-13-10(3)5-4-6-11(13)14/h4-6,9H,7-8,14H2,1-3H3,(H,15,16).
What are the key properties of N-(2-amino-6-methylphenyl)-2-(2-methylpropoxy)acetamide?
N-(2-amino-6-methylphenyl)-2-(2-methylpropoxy)acetamide has a molecular weight of 236.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)-2-(2-methylpropoxy)acetamide is sourced from PubChem (CID 43376602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).