2-chloro-N-(2-ethoxy-6-methylphenyl)-N-(propoxymethyl)acetamide;2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide

C29H42Cl2N2O6 — CID 70554525

IUPAC2-chloro-N-(2-ethoxy-6-methylphenyl)-N-(propoxymethyl)acetamide;2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide
SMILESCCCOCN(C(=O)CCl)c1c(C)cccc1OC.CCCOCN(C(=O)CCl)c1c(C)cccc1OCC
InChIInChI=1S/C15H22ClNO3.C14H20ClNO3/c1-4-9-19-11-17(14(18)10-16)15-12(3)7-6-8-13(15)20-5-2;1-4-8-19-10-16(13(17)9-15)14-11(2)6-5-7-12(14)18-3/h6-8H,4-5,9-11H2,1-3H3;5-7H,4,8-10H2,1-3H3
InChIKeyZWBWUXOBFXEDRF-UHFFFAOYSA-N
MW585.57 g/mol
LogP6.31
Rot. Bonds15

About 2-chloro-N-(2-ethoxy-6-methylphenyl)-N-(propoxymethyl)acetamide;2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide

2-chloro-N-(2-ethoxy-6-methylphenyl)-N-(propoxymethyl)acetamide;2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide (PubChem CID 70554525) has the molecular formula C29H42Cl2N2O6 and a molecular weight of 585.57 g/mol. Its IUPAC name is 2-chloro-N-(2-ethoxy-6-methylphenyl)-N-(propoxymethyl)acetamide;2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethoxy-6-methylphenyl)-N-(propoxymethyl)acetamide;2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide
PubChem CID70554525
Molecular FormulaC29H42Cl2N2O6
Molecular Weight585.57 g/mol
Exact Mass584.24
IUPAC Name2-chloro-N-(2-ethoxy-6-methylphenyl)-N-(propoxymethyl)acetamide;2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide
SMILESCCCOCN(C(=O)CCl)c1c(C)cccc1OC.CCCOCN(C(=O)CCl)c1c(C)cccc1OCC
InChIInChI=1S/C15H22ClNO3.C14H20ClNO3/c1-4-9-19-11-17(14(18)10-16)15-12(3)7-6-8-13(15)20-5-2;1-4-8-19-10-16(13(17)9-15)14-11(2)6-5-7-12(14)18-3/h6-8H,4-5,9-11H2,1-3H3;5-7H,4,8-10H2,1-3H3
InChIKeyZWBWUXOBFXEDRF-UHFFFAOYSA-N
XLogP6.31
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.57
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide
CID 19020256
N-(butoxymethyl)-2-chloro-N-(2,6-dimethylphenyl)acetamide
CID 11312129
2-chloro-N-[2-methyl-6-(3-methylbutoxy)phenyl]-N-(2-methylpropoxymethyl)acetamide
CID 21299009
2-chloro-N-(ethoxymethyl)-N-(2-methyl-6-nitrophenyl)acetamide
CID 13022595
2-chloro-N-(2-methyl-6-propan-2-yloxyphenyl)-N-(2-methylpropoxymethyl)acetamide
CID 21299001
2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]-N-(propan-2-yloxymethyl)acetamide
CID 14279894
2-chloro-N-(1,3-dithiolan-2-ylmethyl)-N-(2-methoxy-6-methylphenyl)acetamide
CID 21403983
propyl N-(2-chloroacetyl)-N-(2,6-dimethylphenyl)carbamate
CID 175159773
2-chloro-N-(2-ethyl-6-methoxyphenyl)-N-(propan-2-yloxymethyl)acetamide
CID 154111334
N-(2-tert-butyl-6-methoxyphenyl)-2-chloro-N-(methoxymethyl)acetamide
CID 21299002
2-(N-(2-chloroacetyl)-2,6-dimethylanilino)-N-methoxy-N-methylacetamide
CID 12810715
2-chloro-N-(2-methylcyclohexen-1-yl)-N-(propoxymethyl)acetamide
CID 12947605

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethoxy-6-methylphenyl)-N-(propoxymethyl)acetamide;2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide?
The IUPAC name of 2-chloro-N-(2-ethoxy-6-methylphenyl)-N-(propoxymethyl)acetamide;2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide (CID 70554525) is 2-chloro-N-(2-ethoxy-6-methylphenyl)-N-(propoxymethyl)acetamide;2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-ethoxy-6-methylphenyl)-N-(propoxymethyl)acetamide;2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-ethoxy-6-methylphenyl)-N-(propoxymethyl)acetamide;2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide is CCCOCN(C(=O)CCl)c1c(C)cccc1OC.CCCOCN(C(=O)CCl)c1c(C)cccc1OCC.
What is the InChIKey of 2-chloro-N-(2-ethoxy-6-methylphenyl)-N-(propoxymethyl)acetamide;2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide?
The InChIKey is ZWBWUXOBFXEDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3.C14H20ClNO3/c1-4-9-19-11-17(14(18)10-16)15-12(3)7-6-8-13(15)20-5-2;1-4-8-19-10-16(13(17)9-15)14-11(2)6-5-7-12(14)18-3/h6-8H,4-5,9-11H2,1-3H3;5-7H,4,8-10H2,1-3H3.
What are the key properties of 2-chloro-N-(2-ethoxy-6-methylphenyl)-N-(propoxymethyl)acetamide;2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide?
2-chloro-N-(2-ethoxy-6-methylphenyl)-N-(propoxymethyl)acetamide;2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide has a molecular weight of 585.57 g/mol, XLogP of 6.31, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethoxy-6-methylphenyl)-N-(propoxymethyl)acetamide;2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide is sourced from PubChem (CID 70554525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).