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

C13H20N2O2 — CID 107937406

IUPACN-(6-amino-2,3-dimethylphenyl)-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1c(N)ccc(C)c1C
InChIInChI=1S/C13H20N2O2/c1-4-7-17-8-12(16)15-13-10(3)9(2)5-6-11(13)14/h5-6H,4,7-8,14H2,1-3H3,(H,15,16)
InChIKeyZEZNBYGQZYXLSZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.25
Rot. Bonds5

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

N-(6-amino-2,3-dimethylphenyl)-2-propoxyacetamide (PubChem CID 107937406) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(6-amino-2,3-dimethylphenyl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(6-amino-2,3-dimethylphenyl)-2-propoxyacetamide
PubChem CID107937406
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(6-amino-2,3-dimethylphenyl)-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1c(N)ccc(C)c1C
InChIInChI=1S/C13H20N2O2/c1-4-7-17-8-12(16)15-13-10(3)9(2)5-6-11(13)14/h5-6H,4,7-8,14H2,1-3H3,(H,15,16)
InChIKeyZEZNBYGQZYXLSZ-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-2,3-dimethylphenyl)-2-propan-2-yloxyacetamide
CID 112601814
N-(3-amino-2,6-dimethylphenyl)-2-ethoxyacetamide
CID 28776914
N-(6-amino-2,3-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205571
N-(2-amino-6-methylphenyl)-2-heptoxyacetamide
CID 43376791
N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride
CID 119422200
N-(3-amino-2,6-dimethylphenyl)butanamide
CID 24711453
N-(6-amino-2,3-dimethylphenyl)-3,4,4-trimethylpentanamide
CID 55259550
N-(6-amino-2,3-dimethylphenyl)cyclopropanecarboxamide
CID 43548116
N-(5-methoxy-2-methylphenyl)-2-propoxyacetamide
CID 113256572
N-(3-amino-4-pyridinyl)-2-propoxyacetamide
CID 107937504
N-(2,6-dimethyl-3-pyridinyl)-2-propoxyacetamide
CID 103747540
2-(2-aminoethoxy)-N-(2,6-difluoro-3-methylphenyl)acetamide
CID 82817938

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,3-dimethylphenyl)-2-propoxyacetamide?
The IUPAC name of N-(6-amino-2,3-dimethylphenyl)-2-propoxyacetamide (CID 107937406) is N-(6-amino-2,3-dimethylphenyl)-2-propoxyacetamide.
What is the SMILES notation for N-(6-amino-2,3-dimethylphenyl)-2-propoxyacetamide?
The canonical SMILES for N-(6-amino-2,3-dimethylphenyl)-2-propoxyacetamide is CCCOCC(=O)Nc1c(N)ccc(C)c1C.
What is the InChIKey of N-(6-amino-2,3-dimethylphenyl)-2-propoxyacetamide?
The InChIKey is ZEZNBYGQZYXLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-7-17-8-12(16)15-13-10(3)9(2)5-6-11(13)14/h5-6H,4,7-8,14H2,1-3H3,(H,15,16).
What are the key properties of N-(6-amino-2,3-dimethylphenyl)-2-propoxyacetamide?
N-(6-amino-2,3-dimethylphenyl)-2-propoxyacetamide has a molecular weight of 236.31 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,3-dimethylphenyl)-2-propoxyacetamide is sourced from PubChem (CID 107937406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).