N-(2-amino-6-methylphenyl)-2-(oxan-4-yloxy)acetamide

C14H20N2O3 — CID 61287148

IUPACN-(2-amino-6-methylphenyl)-2-(oxan-4-yloxy)acetamide
SMILESCc1cccc(N)c1NC(=O)COC1CCOCC1
InChIInChI=1S/C14H20N2O3/c1-10-3-2-4-12(15)14(10)16-13(17)9-19-11-5-7-18-8-6-11/h2-4,11H,5-9,15H2,1H3,(H,16,17)
InChIKeyAHKOCTNUSFHSPM-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.71
Rot. Bonds4

About N-(2-amino-6-methylphenyl)-2-(oxan-4-yloxy)acetamide

N-(2-amino-6-methylphenyl)-2-(oxan-4-yloxy)acetamide (PubChem CID 61287148) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-2-(oxan-4-yloxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-2-(oxan-4-yloxy)acetamide
PubChem CID61287148
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(2-amino-6-methylphenyl)-2-(oxan-4-yloxy)acetamide
SMILESCc1cccc(N)c1NC(=O)COC1CCOCC1
InChIInChI=1S/C14H20N2O3/c1-10-3-2-4-12(15)14(10)16-13(17)9-19-11-5-7-18-8-6-11/h2-4,11H,5-9,15H2,1H3,(H,16,17)
InChIKeyAHKOCTNUSFHSPM-UHFFFAOYSA-N
XLogP1.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-6-methylphenyl)-2-(oxolan-3-yloxy)acetamide
CID 55218804
N-(2-amino-6-methylphenyl)-2-methoxyacetamide
CID 43376359
N-(4-amino-2-methylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61289356
N-(2-amino-6-methylphenyl)-2-(2-methylpropoxy)acetamide
CID 43376602
N-(2-amino-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 43376385
N-(2-amino-6-methylphenyl)-2-heptoxyacetamide
CID 43376791
N-(2-amino-4-methoxyphenyl)-2-(oxan-4-yloxy)acetamide
CID 61288778
N-(3-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61287173
N-(5-amino-2-methylphenyl)-2-(oxolan-3-yloxy)acetamide
CID 63556820
N-(2-aminophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide
CID 114340601
N-(2-amino-6-methylphenyl)-2-(4,4,4-trifluorobutoxy)acetamide
CID 82788195
N-(2-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61287172

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-2-(oxan-4-yloxy)acetamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-2-(oxan-4-yloxy)acetamide (CID 61287148) is N-(2-amino-6-methylphenyl)-2-(oxan-4-yloxy)acetamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-2-(oxan-4-yloxy)acetamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-2-(oxan-4-yloxy)acetamide is Cc1cccc(N)c1NC(=O)COC1CCOCC1.
What is the InChIKey of N-(2-amino-6-methylphenyl)-2-(oxan-4-yloxy)acetamide?
The InChIKey is AHKOCTNUSFHSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-3-2-4-12(15)14(10)16-13(17)9-19-11-5-7-18-8-6-11/h2-4,11H,5-9,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-6-methylphenyl)-2-(oxan-4-yloxy)acetamide?
N-(2-amino-6-methylphenyl)-2-(oxan-4-yloxy)acetamide has a molecular weight of 264.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)-2-(oxan-4-yloxy)acetamide is sourced from PubChem (CID 61287148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).