N-(2,6-dimethyl-3-pyridinyl)-2-propoxyacetamide

C12H18N2O2 — CID 103747540

IUPACN-(2,6-dimethyl-3-pyridinyl)-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1ccc(C)nc1C
InChIInChI=1S/C12H18N2O2/c1-4-7-16-8-12(15)14-11-6-5-9(2)13-10(11)3/h5-6H,4,7-8H2,1-3H3,(H,14,15)
InChIKeyJFTRYJFSEJRQGQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.06
Rot. Bonds5

About N-(2,6-dimethyl-3-pyridinyl)-2-propoxyacetamide

N-(2,6-dimethyl-3-pyridinyl)-2-propoxyacetamide (PubChem CID 103747540) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(2,6-dimethyl-3-pyridinyl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-3-pyridinyl)-2-propoxyacetamide
PubChem CID103747540
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(2,6-dimethyl-3-pyridinyl)-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1ccc(C)nc1C
InChIInChI=1S/C12H18N2O2/c1-4-7-16-8-12(15)14-11-6-5-9(2)13-10(11)3/h5-6H,4,7-8H2,1-3H3,(H,14,15)
InChIKeyJFTRYJFSEJRQGQ-UHFFFAOYSA-N
XLogP2.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxy-2-methylphenyl)-2-propoxyacetamide
CID 113230378
N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride
CID 119422200
3-methyl-4-[(2-propoxyacetyl)amino]benzenesulfonyl chloride
CID 107938552
N-(3-amino-4-pyridinyl)-2-propoxyacetamide
CID 107937504
N-(5-methoxy-2-methylphenyl)-2-propoxyacetamide
CID 113256572
1-(6-methyl-2-pyridinyl)-2-propoxyethanone
CID 79567849
N-(6-chloro-2-pyridinyl)-2-propoxyacetamide
CID 103739833
N-(2,5-dichloro-4-methylphenyl)-2-propoxyacetamide
CID 103841314
N-(5-hydroxynaphthalen-1-yl)-2-propoxyacetamide
CID 107941689
3-[(2-propoxyacetyl)amino]pyridine-4-carboxylic acid
CID 107938048
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-propoxyacetamide
CID 107940393
N-(6-amino-2,3-dimethylphenyl)-2-propoxyacetamide
CID 107937406

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-3-pyridinyl)-2-propoxyacetamide?
The IUPAC name of N-(2,6-dimethyl-3-pyridinyl)-2-propoxyacetamide (CID 103747540) is N-(2,6-dimethyl-3-pyridinyl)-2-propoxyacetamide.
What is the SMILES notation for N-(2,6-dimethyl-3-pyridinyl)-2-propoxyacetamide?
The canonical SMILES for N-(2,6-dimethyl-3-pyridinyl)-2-propoxyacetamide is CCCOCC(=O)Nc1ccc(C)nc1C.
What is the InChIKey of N-(2,6-dimethyl-3-pyridinyl)-2-propoxyacetamide?
The InChIKey is JFTRYJFSEJRQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-7-16-8-12(15)14-11-6-5-9(2)13-10(11)3/h5-6H,4,7-8H2,1-3H3,(H,14,15).
What are the key properties of N-(2,6-dimethyl-3-pyridinyl)-2-propoxyacetamide?
N-(2,6-dimethyl-3-pyridinyl)-2-propoxyacetamide has a molecular weight of 222.29 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-3-pyridinyl)-2-propoxyacetamide is sourced from PubChem (CID 103747540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).