2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide

C29H40Cl2N2O4 — CID 122590274

IUPAC2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide
SMILESCCOCCN(C(=O)CCl)C(=C(C)C)c1ccccc1.COCCN(C(=O)CCl)c1c(C)cccc1C
InChIInChI=1S/C16H22ClNO2.C13H18ClNO2/c1-4-20-11-10-18(15(19)12-17)16(13(2)3)14-8-6-5-7-9-14;1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h5-9H,4,10-12H2,1-3H3;4-6H,7-9H2,1-3H3
InChIKeyMOIFADZRUOADDM-UHFFFAOYSA-N
MW551.56 g/mol
LogP6.06
Rot. Bonds12

About 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide

2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide (PubChem CID 122590274) has the molecular formula C29H40Cl2N2O4 and a molecular weight of 551.56 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide
PubChem CID122590274
Molecular FormulaC29H40Cl2N2O4
Molecular Weight551.56 g/mol
Exact Mass550.24
IUPAC Name2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide
SMILESCCOCCN(C(=O)CCl)C(=C(C)C)c1ccccc1.COCCN(C(=O)CCl)c1c(C)cccc1C
InChIInChI=1S/C16H22ClNO2.C13H18ClNO2/c1-4-20-11-10-18(15(19)12-17)16(13(2)3)14-8-6-5-7-9-14;1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h5-9H,4,10-12H2,1-3H3;4-6H,7-9H2,1-3H3
InChIKeyMOIFADZRUOADDM-UHFFFAOYSA-N
XLogP6.06
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.56
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide
CID 15137839
2-[2-ethoxyethyl-(2-methyl-1-phenylprop-1-enyl)amino]-2-oxoethanesulfonic acid
CID 71751546
2-chloro-N-(2-methoxyethyl)-N-[1-(2-methoxyphenyl)-2-methylprop-1-enyl]acetamide
CID 15137840
2-(N-(2-chloroacetyl)-2,6-dimethylanilino)-N-methoxy-N-methylacetamide
CID 12810715
2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(propan-2-yloxymethyl)acetamide
CID 15156071
N-(butoxymethyl)-2-chloro-N-(2,6-dimethylphenyl)acetamide
CID 11312129
2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(propylsulfanylmethyl)acetamide
CID 15156083
2-chloro-N-(2,6-dimethylphenyl)-N-(1-ethoxypentan-3-yl)acetamide
CID 67914778
2-chloro-N-(ethoxymethyl)-N-(2-methyl-6-nitrophenyl)acetamide
CID 13022595
2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide
CID 19020256
2-chloro-N-(2,6-diethylphenyl)-N-(2-phenoxyethyl)acetamide
CID 12769785
2-chloro-N-(2-ethoxy-6-methylphenyl)-N-(propoxymethyl)acetamide;2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide
CID 70554525

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide?
The IUPAC name of 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide (CID 122590274) is 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide?
The canonical SMILES for 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide is CCOCCN(C(=O)CCl)C(=C(C)C)c1ccccc1.COCCN(C(=O)CCl)c1c(C)cccc1C.
What is the InChIKey of 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide?
The InChIKey is MOIFADZRUOADDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2.C13H18ClNO2/c1-4-20-11-10-18(15(19)12-17)16(13(2)3)14-8-6-5-7-9-14;1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h5-9H,4,10-12H2,1-3H3;4-6H,7-9H2,1-3H3.
What are the key properties of 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide?
2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide has a molecular weight of 551.56 g/mol, XLogP of 6.06, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide is sourced from PubChem (CID 122590274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).