2-chloro-N-[2-(1-methoxypropan-2-yloxy)-6-methylphenyl]-N-methylacetamide

C14H20ClNO3 — CID 12855575

IUPAC2-chloro-N-[2-(1-methoxypropan-2-yloxy)-6-methylphenyl]-N-methylacetamide
SMILESCOCC(C)Oc1cccc(C)c1N(C)C(=O)CCl
InChIInChI=1S/C14H20ClNO3/c1-10-6-5-7-12(19-11(2)9-18-4)14(10)16(3)13(17)8-15/h5-7,11H,8-9H2,1-4H3
InChIKeySBWMPSZDKCZDNH-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.61
Rot. Bonds6

About 2-chloro-N-[2-(1-methoxypropan-2-yloxy)-6-methylphenyl]-N-methylacetamide

2-chloro-N-[2-(1-methoxypropan-2-yloxy)-6-methylphenyl]-N-methylacetamide (PubChem CID 12855575) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-chloro-N-[2-(1-methoxypropan-2-yloxy)-6-methylphenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1-methoxypropan-2-yloxy)-6-methylphenyl]-N-methylacetamide
PubChem CID12855575
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name2-chloro-N-[2-(1-methoxypropan-2-yloxy)-6-methylphenyl]-N-methylacetamide
SMILESCOCC(C)Oc1cccc(C)c1N(C)C(=O)CCl
InChIInChI=1S/C14H20ClNO3/c1-10-6-5-7-12(19-11(2)9-18-4)14(10)16(3)13(17)8-15/h5-7,11H,8-9H2,1-4H3
InChIKeySBWMPSZDKCZDNH-UHFFFAOYSA-N
XLogP2.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-(N-(2-chloroacetyl)-2,6-dimethylanilino)propanoate
CID 169090005
2-chloro-N-(2-methyl-6-propan-2-yloxyphenyl)-N-(2-methylpropoxymethyl)acetamide
CID 21299001
2-chloro-N-[2-methyl-6-(3-methylbutoxy)phenyl]-N-(2-methylpropoxymethyl)acetamide
CID 21299009
methyl 2-[N-(3-chloropropanoyl)-2,6-dimethylanilino]propanoate
CID 21434150
2-chloro-N-(2,6-dimethylphenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 19855646
2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-iodo-3-methoxypropan-2-yl)acetamide
CID 70353714
2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]-N-(propan-2-yloxymethyl)acetamide
CID 14279894
2-(N-(2-chloroacetyl)-2,6-dimethylanilino)-N-methoxy-N-methylacetamide
CID 12810715
methyl (2S)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
CID 67568315
2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide
CID 19020256
2-amino-3-(1-methoxypropan-2-yloxy)benzamide
CID 115547300
2-chloro-N-(2,6-dimethylphenyl)-N-(3-prop-2-enoxyiminobutan-2-yl)acetamide
CID 86737669

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1-methoxypropan-2-yloxy)-6-methylphenyl]-N-methylacetamide?
The IUPAC name of 2-chloro-N-[2-(1-methoxypropan-2-yloxy)-6-methylphenyl]-N-methylacetamide (CID 12855575) is 2-chloro-N-[2-(1-methoxypropan-2-yloxy)-6-methylphenyl]-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-[2-(1-methoxypropan-2-yloxy)-6-methylphenyl]-N-methylacetamide?
The canonical SMILES for 2-chloro-N-[2-(1-methoxypropan-2-yloxy)-6-methylphenyl]-N-methylacetamide is COCC(C)Oc1cccc(C)c1N(C)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[2-(1-methoxypropan-2-yloxy)-6-methylphenyl]-N-methylacetamide?
The InChIKey is SBWMPSZDKCZDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-10-6-5-7-12(19-11(2)9-18-4)14(10)16(3)13(17)8-15/h5-7,11H,8-9H2,1-4H3.
What are the key properties of 2-chloro-N-[2-(1-methoxypropan-2-yloxy)-6-methylphenyl]-N-methylacetamide?
2-chloro-N-[2-(1-methoxypropan-2-yloxy)-6-methylphenyl]-N-methylacetamide has a molecular weight of 285.77 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1-methoxypropan-2-yloxy)-6-methylphenyl]-N-methylacetamide is sourced from PubChem (CID 12855575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).