N-(2-amino-6-methylphenyl)-2-(oxolan-3-yloxy)acetamide

C13H18N2O3 — CID 55218804

IUPACN-(2-amino-6-methylphenyl)-2-(oxolan-3-yloxy)acetamide
SMILESCc1cccc(N)c1NC(=O)COC1CCOC1
InChIInChI=1S/C13H18N2O3/c1-9-3-2-4-11(14)13(9)15-12(16)8-18-10-5-6-17-7-10/h2-4,10H,5-8,14H2,1H3,(H,15,16)
InChIKeyBDFHGCKMZFFEQT-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.32
Rot. Bonds4

About N-(2-amino-6-methylphenyl)-2-(oxolan-3-yloxy)acetamide

N-(2-amino-6-methylphenyl)-2-(oxolan-3-yloxy)acetamide (PubChem CID 55218804) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-2-(oxolan-3-yloxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-2-(oxolan-3-yloxy)acetamide
PubChem CID55218804
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(2-amino-6-methylphenyl)-2-(oxolan-3-yloxy)acetamide
SMILESCc1cccc(N)c1NC(=O)COC1CCOC1
InChIInChI=1S/C13H18N2O3/c1-9-3-2-4-11(14)13(9)15-12(16)8-18-10-5-6-17-7-10/h2-4,10H,5-8,14H2,1H3,(H,15,16)
InChIKeyBDFHGCKMZFFEQT-UHFFFAOYSA-N
XLogP1.32
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.32
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-(oxan-4-yloxy)acetamide
CID 61287148
N-(5-amino-2-methylphenyl)-2-(oxolan-3-yloxy)acetamide
CID 63556820
N-(2-amino-4,6-dichlorophenyl)-2-(oxolan-3-yloxy)acetamide
CID 63556430
N-(2-amino-6-methylphenyl)-2-methoxyacetamide
CID 43376359
N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)acetamide
CID 63557224
N-(2-amino-6-methylphenyl)-2-(2-methylpropoxy)acetamide
CID 43376602
N-(2-amino-4-fluorophenyl)-2-(oxolan-3-yloxy)acetamide
CID 63557017
N-(2-amino-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 43376385
N-(4-amino-2-methylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61289356
N-(2-amino-6-methylphenyl)-2-heptoxyacetamide
CID 43376791
3-methyl-2-[(3R)-oxolan-3-yl]oxyaniline
CID 166611345
N-(2-amino-4-methoxyphenyl)-2-(oxan-4-yloxy)acetamide
CID 61288778

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-2-(oxolan-3-yloxy)acetamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-2-(oxolan-3-yloxy)acetamide (CID 55218804) is N-(2-amino-6-methylphenyl)-2-(oxolan-3-yloxy)acetamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-2-(oxolan-3-yloxy)acetamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-2-(oxolan-3-yloxy)acetamide is Cc1cccc(N)c1NC(=O)COC1CCOC1.
What is the InChIKey of N-(2-amino-6-methylphenyl)-2-(oxolan-3-yloxy)acetamide?
The InChIKey is BDFHGCKMZFFEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-3-2-4-11(14)13(9)15-12(16)8-18-10-5-6-17-7-10/h2-4,10H,5-8,14H2,1H3,(H,15,16).
What are the key properties of N-(2-amino-6-methylphenyl)-2-(oxolan-3-yloxy)acetamide?
N-(2-amino-6-methylphenyl)-2-(oxolan-3-yloxy)acetamide has a molecular weight of 250.30 g/mol, XLogP of 1.32, 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-(oxolan-3-yloxy)acetamide is sourced from PubChem (CID 55218804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).