N-(2,6-dimethylphenyl)-2-methoxy-N-[2-(methoxyamino)prop-1-enyl]acetamide

C15H22N2O3 — CID 56628213

IUPACN-(2,6-dimethylphenyl)-2-methoxy-N-[2-(methoxyamino)prop-1-enyl]acetamide
SMILESCOCC(=O)N(C=C(C)NOC)c1c(C)cccc1C
InChIInChI=1S/C15H22N2O3/c1-11-7-6-8-12(2)15(11)17(14(18)10-19-4)9-13(3)16-20-5/h6-9,16H,10H2,1-5H3
InChIKeyCDFRMAWJLVJAPP-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.30
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-methoxy-N-[2-(methoxyamino)prop-1-enyl]acetamide

N-(2,6-dimethylphenyl)-2-methoxy-N-[2-(methoxyamino)prop-1-enyl]acetamide (PubChem CID 56628213) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-methoxy-N-[2-(methoxyamino)prop-1-enyl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-methoxy-N-[2-(methoxyamino)prop-1-enyl]acetamide
PubChem CID56628213
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(2,6-dimethylphenyl)-2-methoxy-N-[2-(methoxyamino)prop-1-enyl]acetamide
SMILESCOCC(=O)N(C=C(C)NOC)c1c(C)cccc1C
InChIInChI=1S/C15H22N2O3/c1-11-7-6-8-12(2)15(11)17(14(18)10-19-4)9-13(3)16-20-5/h6-9,16H,10H2,1-5H3
InChIKeyCDFRMAWJLVJAPP-UHFFFAOYSA-N
XLogP2.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-methoxy-N-[2-(methoxyamino)prop-1-enyl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-methoxy-N-[2-(methoxyamino)prop-1-enyl]acetamide (CID 56628213) is N-(2,6-dimethylphenyl)-2-methoxy-N-[2-(methoxyamino)prop-1-enyl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-methoxy-N-[2-(methoxyamino)prop-1-enyl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-methoxy-N-[2-(methoxyamino)prop-1-enyl]acetamide is COCC(=O)N(C=C(C)NOC)c1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-methoxy-N-[2-(methoxyamino)prop-1-enyl]acetamide?
The InChIKey is CDFRMAWJLVJAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-7-6-8-12(2)15(11)17(14(18)10-19-4)9-13(3)16-20-5/h6-9,16H,10H2,1-5H3.
What are the key properties of N-(2,6-dimethylphenyl)-2-methoxy-N-[2-(methoxyamino)prop-1-enyl]acetamide?
N-(2,6-dimethylphenyl)-2-methoxy-N-[2-(methoxyamino)prop-1-enyl]acetamide has a molecular weight of 278.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-methoxy-N-[2-(methoxyamino)prop-1-enyl]acetamide is sourced from PubChem (CID 56628213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).